UCSF

ZINC04889991

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 28 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) 1.68 4.85 -20.39 2 7 0 96 401.488 5
Mid Mid (pH 6-8) 2.27 0.42 -42.93 3 7 1 104 402.496 5

Activity (Go SEA)

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