UCSF

ZINC43445457

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 13 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) 0.43 1.5 -34.65 3 3 1 37 187.307 5
Mid Mid (pH 6-8) 0.43 0.3 -39.84 3 3 1 40 187.307 5
Lo Low (pH 4.5-6) 0.43 2.69 -102.11 4 3 2 41 188.315 5

Activity (Go SEA)

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