UCSF

ZINC03033216

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 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) 5.65 11.76 -12.86 1 4 0 55 415.496 5
Mid Mid (pH 6-8) 5.71 10.46 -40.56 2 4 1 60 416.504 5

Activity (Go SEA)

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