UCSF

ZINC30558812

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2009 21 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) 1.75 4.43 -12.18 2 6 0 74 290.367 5
Mid Mid (pH 6-8) 1.75 4.72 -39.1 3 6 1 76 291.375 5

Activity (Go SEA)

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