UCSF

ZINC30558735

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2009 24 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) 2.05 5.1 -23.53 2 6 0 74 330.432 6
Mid Mid (pH 6-8) 2.05 5.31 -49.88 3 6 1 76 331.44 6

Activity (Go SEA)

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