UCSF

ZINC37803601

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 No

Download: MOL2 SDF SMILES Flexibase

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) 0.92 2.37 -55.18 3 5 1 82 291.437 7
Hi High (pH 8-9.5) 0.92 2.02 -17.05 2 5 0 80 290.429 7

Activity (Go SEA)

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