UCSF

ZINC29057507

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 35 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) 5.68 13.21 -153.61 0 6 -2 107 460.441 3
Mid Mid (pH 6-8) 5.68 12.56 -72.05 1 6 -1 104 461.449 3
Lo Low (pH 4.5-6) 5.68 11.9 -37.2 2 6 0 101 462.457 3

Activity (Go SEA)

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