UCSF

ZINC36667795

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 17 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) 1.75 6.24 -47.97 2 4 1 52 238.307 8
Hi High (pH 8-9.5) 1.75 4.87 -6.71 1 4 0 48 237.299 8

Activity (Go SEA)

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