UCSF

ZINC37852209

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 0.15 -1.74 -5.61 2 5 0 54 260.378 8
Mid Mid (pH 6-8) 0.15 -0.33 -44.08 3 5 1 59 261.386 8
Lo Low (pH 4.5-6) 0.15 0.52 -37.88 3 5 1 55 261.386 8

Activity (Go SEA)

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