UCSF

ZINC51447424

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 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) 3.50 9.39 -40.2 2 3 1 33 288.459 4
Mid Mid (pH 6-8) 3.50 9.86 -95.78 3 3 2 34 289.467 4

Activity (Go SEA)

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