UCSF

ZINC20465526

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 24 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) 1.97 2.54 -21.58 1 6 0 71 349.456 5
Mid Mid (pH 6-8) 1.97 4.02 -43.28 1 6 0 74 349.456 5
Mid Mid (pH 6-8) 1.97 1.69 -42.25 0 6 -1 73 348.448 5
Lo Low (pH 4.5-6) 1.97 4.86 -63.84 2 6 1 72 350.464 5

Activity (Go SEA)

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