UCSF

ZINC34938153

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 14 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) 0.63 0.75 -18.72 3 4 0 72 209.274 1
Mid Mid (pH 6-8) 0.63 1.16 -61.62 4 4 1 73 210.282 1
Mid Mid (pH 6-8) 0.63 1.21 -11.05 3 4 0 72 209.274 1

Activity (Go SEA)

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