UCSF

ZINC00904229

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 23 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) 4.64 -3.04 -7.97 2 4 0 49 372.266 3
Mid Mid (pH 6-8) 4.64 -2.86 -28.96 3 4 1 50 373.274 3

Activity (Go SEA)

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