UCSF

ZINC34677261

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 26 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) 1.73 1.42 -43.15 3 7 1 83 365.498 7
Mid Mid (pH 6-8) 1.73 -0.85 -8.03 2 7 0 82 364.49 7
Lo Low (pH 4.5-6) 1.73 1.46 -42.3 3 7 1 83 365.498 7

Activity (Go SEA)

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