UCSF

ZINC34674776

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2009 15 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) -1.11 6.2 -40.6 1 5 1 63 207.257 4
Mid Mid (pH 6-8) -1.11 5.73 -20.45 0 5 0 62 206.249 4

Activity (Go SEA)

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