UCSF

ZINC34613175

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 31 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) 0.65 13.45 -75.83 0 7 -1 86 428.484 6
Mid Mid (pH 6-8) 0.65 11.41 -23.5 1 7 0 83 429.492 6
Lo Low (pH 4.5-6) -2.10 10.31 -37.23 1 7 0 89 429.492 5

Activity (Go SEA)

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