UCSF

ZINC21805155

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 0.35 -2.25 -13.29 3 7 0 94 315.395 6
Mid Mid (pH 6-8) 0.35 0.08 -50.28 4 7 1 95 316.403 6

Activity (Go SEA)

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