UCSF

ZINC36891722

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 13 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) 0.06 3.13 -47.15 2 4 1 52 188.247 6
Hi High (pH 8-9.5) 0.06 1.8 -6.62 1 4 0 48 187.239 6

Activity (Go SEA)

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