UCSF

ZINC21664310

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 35 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) 3.45 8.72 -53.75 3 7 1 86 499.701 7
Hi High (pH 8-9.5) 3.45 8.8 -71.72 2 7 0 88 498.693 7
Hi High (pH 8-9.5) 3.45 7.3 -14.73 2 7 0 82 498.693 7

Activity (Go SEA)

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