UCSF

ZINC49707202

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 0.60 4.11 -55.84 2 8 1 79 337.4 4
Mid Mid (pH 6-8) 0.60 1.89 -16.28 1 8 0 78 336.392 4

Activity (Go SEA)

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