UCSF

ZINC34774909

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 24 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) 4.16 10.74 -41.52 1 3 1 17 325.476 2
Mid Mid (pH 6-8) 4.16 11.45 -94.8 2 3 2 18 326.484 2

Activity (Go SEA)

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