UCSF

ZINC41311317

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 24 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) 1.45 2.53 -10.12 2 6 0 71 333.432 8
Mid Mid (pH 6-8) 1.45 4.8 -46.35 3 6 1 72 334.44 8

Activity (Go SEA)

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