UCSF

ZINC20120670

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 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) 2.51 4.78 -4.3 1 3 0 24 294.414 6
Mid Mid (pH 6-8) 2.51 6.56 -44.06 2 3 1 29 295.422 6
Lo Low (pH 4.5-6) 2.51 7.19 -33.61 2 3 1 26 295.422 6

Activity (Go SEA)

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