UCSF

ZINC34549116

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 23 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) 1.86 9.97 -66.9 1 6 1 55 316.381 4
Mid Mid (pH 6-8) 1.86 7.61 -17.92 0 6 0 54 315.373 4

Activity (Go SEA)

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