UCSF

ZINC09112534

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 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) 3.47 -2.32 -46.76 3 4 1 62 306.455 3

Activity (Go SEA)

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