UCSF

ZINC41583532

Substance Information

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

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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) 2.97 4.27 -7.05 2 4 0 58 246.31 3
Hi High (pH 8-9.5) 3.16 1.61 -44.16 1 4 -1 65 245.302 3

Activity (Go SEA)

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