UCSF

ZINC34667875

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 32 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) 4.28 10.64 -15.11 1 6 0 58 454.933 7
Mid Mid (pH 6-8) 4.28 12.86 -52.64 2 6 1 59 455.941 7
Mid Mid (pH 6-8) 4.28 10.96 -41.63 2 6 1 59 455.941 7

Activity (Go SEA)

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