UCSF

ZINC34830305

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 31 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) 3.80 12.24 -41.09 1 5 1 45 440.633 4
Mid Mid (pH 6-8) 3.80 10.6 -11.24 0 5 0 44 439.625 4

Activity (Go SEA)

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