UCSF

ZINC48666175

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 20 No

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Annotations

Vendors

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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) 3.82 8.12 -9.74 2 4 0 50 331.224 3
Hi High (pH 8-9.5) 3.86 6.88 -35.18 1 4 -1 51 330.216 3

Activity (Go SEA)

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