UCSF

ZINC48333412

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

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) -1.02 0.37 -10.21 1 6 0 62 243.307 4
Mid Mid (pH 6-8) -1.02 2.73 -47.61 2 6 1 63 244.315 4

Activity (Go SEA)

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