UCSF

ZINC42778413

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 1.67 3.2 -28.75 2 3 1 28 217.377 7
Mid Mid (pH 6-8) 1.67 4.73 -31.29 2 3 1 28 217.377 7
Lo Low (pH 4.5-6) 1.67 5.66 -99.23 3 3 2 29 218.385 7

Activity (Go SEA)

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