UCSF

ZINC43072431

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 21 Yes

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) 2.71 6.97 -43.21 3 5 1 63 292.403 8
Hi High (pH 8-9.5) 2.71 4.51 -10.38 2 5 0 61 291.395 8

Activity (Go SEA)

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