UCSF

ZINC34222346

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.27 6.44 -11.55 2 3 0 48 230.311 3
Mid Mid (pH 6-8) 2.27 6.15 -52.64 3 3 1 50 231.319 3

Activity (Go SEA)

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