UCSF

ZINC28631951

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 34 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) 3.32 11.77 -43.55 2 8 1 79 464.59 9
Mid Mid (pH 6-8) 3.32 9.46 -12.97 1 8 0 78 463.582 9
Mid Mid (pH 6-8) 3.32 10.49 -45.15 2 8 1 79 464.59 9
Mid Mid (pH 6-8) 3.32 9.21 -35.63 2 8 1 79 464.59 9

Activity (Go SEA)

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