UCSF

ZINC32904967

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 19 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) 2.02 8.52 -46.59 1 3 1 22 270.278 5
Hi High (pH 8-9.5) 2.02 6.2 -7.43 0 3 0 21 269.27 5
Mid Mid (pH 6-8) 2.02 6.55 -34.4 1 3 1 22 270.278 5
Lo Low (pH 4.5-6) 2.02 8.85 -115.55 2 3 2 24 271.286 5

Activity (Go SEA)

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