UCSF

ZINC57463234

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2011 18 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) 3.15 6.99 -4.21 2 3 0 42 241.338 1
Mid Mid (pH 6-8) 3.15 6.64 -31.42 3 3 1 43 242.346 1

Activity (Go SEA)

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