UCSF

ZINC06750993

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 30 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) 4.74 12.08 -13.1 0 6 0 66 419.506 8
Mid Mid (pH 6-8) 4.74 12.5 -42.28 1 6 1 68 420.514 8
Lo Low (pH 4.5-6) 4.74 12.36 -44.56 1 6 1 68 420.514 8
Lo Low (pH 4.5-6) 4.74 12.79 -112.23 2 6 2 69 421.522 8

Activity (Go SEA)

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