UCSF

ZINC66738226

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2011 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) 0.16 0.91 -37.6 3 4 1 59 212.298 3
Hi High (pH 8-9.5) 0.16 -0.48 -8.2 2 4 0 54 211.29 3

Activity (Go SEA)

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