UCSF

ZINC42681157

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 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) 1.05 2.95 -35.64 2 3 1 28 215.361 6
Lo Low (pH 4.5-6) 1.05 2.73 -33.8 2 3 1 28 215.361 6
Lo Low (pH 4.5-6) 1.05 5.21 -98.25 3 3 2 29 216.369 6

Activity (Go SEA)

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