UCSF

ZINC34626032

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 28 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 8.79 -16.95 1 8 0 119 385.372 5
Mid Mid (pH 6-8) 3.63 9.81 -54.83 0 8 -1 121 384.364 5

Activity (Go SEA)

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