UCSF

ZINC40105773

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 25 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) 3.13 6.95 -39.02 2 4 1 37 361.893 6
Mid Mid (pH 6-8) 3.13 4.69 -6.49 1 4 0 36 360.885 6

Activity (Go SEA)

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