UCSF

ZINC34676917

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 30 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) 2.83 12.5 -15.74 0 7 0 62 407.518 4
Mid Mid (pH 6-8) 2.83 12.84 -33.78 1 7 1 63 408.526 4

Activity (Go SEA)

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