UCSF

ZINC34677083

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 29 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) 2.29 3.28 -43 3 7 1 83 401.531 10
Mid Mid (pH 6-8) 2.29 1.02 -8.37 2 7 0 82 400.523 10
Lo Low (pH 4.5-6) 2.29 3.32 -43.1 3 7 1 83 401.531 10

Activity (Go SEA)

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