UCSF

ZINC37980237

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 19 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) 1.65 6.99 -47.8 1 4 1 38 282.795 3
Mid Mid (pH 6-8) 1.65 5.08 -11.34 0 4 0 36 281.787 3

Activity (Go SEA)

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