UCSF

ZINC49046061

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 19 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) 0.81 -0.47 -16.28 3 7 0 115 304.397 3
Hi High (pH 8-9.5) 0.81 0.02 -49.04 2 7 -1 113 303.389 3

Activity (Go SEA)

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