UCSF

ZINC36667867

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 15 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) 2.04 4.48 -6.87 1 3 0 45 204.273 5
Mid Mid (pH 6-8) 2.04 5.72 -47.76 2 3 1 50 205.281 5

Activity (Go SEA)

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