UCSF

ZINC40145969

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 26 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) 2.44 5.5 -38.22 4 7 1 88 374.49 6
Mid Mid (pH 6-8) 2.44 5.18 -14.4 3 7 0 86 373.482 6

Activity (Go SEA)

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