UCSF

ZINC37848964

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.27 3.25 -43.67 3 4 1 55 274.406 10
Mid Mid (pH 6-8) 1.27 1.85 -7.63 2 4 0 51 273.398 10

Activity (Go SEA)

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