UCSF

ZINC22173983

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 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) 0.79 2.99 -17.47 1 5 0 58 245.282 2
Mid Mid (pH 6-8) 0.79 4.4 -62.04 2 5 1 63 246.29 2

Activity (Go SEA)

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