UCSF

ZINC34675474

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 32 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) 2.33 7.32 -20.67 1 7 0 71 439.556 10
Mid Mid (pH 6-8) 2.33 9.59 -54.89 2 7 1 72 440.564 10

Activity (Go SEA)

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