UCSF

ZINC53087287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2010 27 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) 0.67 6.85 -35.86 4 8 1 112 373.433 8
Mid Mid (pH 6-8) 0.67 4.8 -10.86 3 8 0 110 372.425 8

Activity (Go SEA)

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