UCSF

ZINC37801643

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.26 2.96 -42.89 4 5 1 77 258.386 7
Mid Mid (pH 6-8) 1.26 2.67 -10.76 3 5 0 75 257.378 7

Activity (Go SEA)

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