UCSF

ZINC34975860

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 2.21 3.95 -6.59 3 4 0 64 235.262 4
Mid Mid (pH 6-8) 2.22 3.96 -33.98 4 4 1 65 236.27 4

Activity (Go SEA)

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