UCSF

ZINC37996075

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 16 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) 2.35 4.78 -5.14 3 3 0 51 213.284 3
Mid Mid (pH 6-8) 2.35 5.25 -27.91 4 3 1 52 214.292 3

Activity (Go SEA)

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