UCSF

ZINC34552186

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 19 No

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 8.1 -41.56 0 3 -1 49 259.325 5
Mid Mid (pH 6-8) 2.89 8.3 -11.04 0 3 0 43 260.333 5

Activity (Go SEA)

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