UCSF

ZINC49393865

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 19 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) 1.93 6.35 -41.41 1 4 1 42 281.401 3
Mid Mid (pH 6-8) 1.93 4.17 -7.9 0 4 0 41 280.393 3

Activity (Go SEA)

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