UCSF

ZINC36191543

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) -0.35 3.95 -71.8 1 6 0 82 264.347 5
Hi High (pH 8-9.5) -0.35 1.31 -46.44 0 6 -1 81 263.339 5

Activity (Go SEA)

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