UCSF

ZINC34866112

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 25 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) 2.70 6.56 -37.22 3 5 1 62 386.278 5
Mid Mid (pH 6-8) 2.70 6.17 -11.3 2 5 0 61 385.27 5
Lo Low (pH 4.5-6) 2.70 8.39 -48.85 3 5 1 62 386.278 5

Activity (Go SEA)

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