UCSF

ZINC29564104

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 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) 4.51 12.16 -35.57 1 2 1 8 333.499 3
Mid Mid (pH 6-8) 4.51 11.43 -29.72 1 2 1 8 333.499 3
Mid Mid (pH 6-8) 4.51 9.85 -2.83 0 2 0 6 332.491 3

Activity (Go SEA)

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