UCSF

ZINC37831726

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 1.45 9.69 -74.44 1 5 0 65 294.395 3
Mid Mid (pH 6-8) 1.45 7.42 -61.1 0 5 -1 64 293.387 3
Lo Low (pH 4.5-6) 1.45 7.21 -49.85 2 5 1 62 295.403 3

Activity (Go SEA)

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