UCSF

ZINC34669878

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 16 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) 1.87 4.75 -8.9 1 4 0 51 231.28 1
Mid Mid (pH 6-8) 2.33 3.31 -40.32 0 4 -1 54 230.272 1
Lo Low (pH 4.5-6) 1.87 5.19 -33.72 2 4 1 52 232.288 1

Activity (Go SEA)

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