UCSF

ZINC45649861

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 14 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) 1.85 4.26 -33.95 2 2 1 16 211.251 4
Hi High (pH 8-9.5) 1.85 1.9 -2.5 1 2 0 15 210.243 4

Activity (Go SEA)

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