UCSF

ZINC34381705

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 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) 3.63 6.07 -33.45 3 3 1 46 299.781 4
Mid Mid (pH 6-8) 3.63 5.65 -7.79 2 3 0 45 298.773 4

Activity (Go SEA)

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