UCSF

ZINC05392736

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 22 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) 4.81 7.42 -14.17 1 4 0 62 330.434 3
Mid Mid (pH 6-8) 3.88 7.18 -49.52 0 4 -1 61 329.426 4

Activity (Go SEA)

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