UCSF

ZINC95080938

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2013 11 No

Popular Name: 1H-pyrrole-2-carbaldehyde thiosemicarbazone 1H-pyrrole-2-carbaldehyde thiose…

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Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.00 1.89 -14.35 3 4 0 63 168.225 3 ↓
Hi High (pH 8-9.5) 0.04 2.09 -14.63 3 4 0 65 168.225 2 ↓
Hi High (pH 8-9.5) 0.04 1.94 -41.17 2 4 -1 63 167.217 2 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.