UCSF

ZINC20120732

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) 2.90 5.36 -3.04 1 3 0 24 290.451 7
Mid Mid (pH 6-8) 2.90 7.07 -40.17 2 3 1 29 291.459 7
Lo Low (pH 4.5-6) 2.90 7.81 -30.98 2 3 1 26 291.459 7
Lo Low (pH 4.5-6) 2.90 8.84 -118.11 3 3 2 30 292.467 7

Activity (Go SEA)

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