UCSF

ZINC36996667

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 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) 1.37 5.65 -33.47 2 3 1 29 232.351 3
Mid Mid (pH 6-8) 1.37 4.54 -37.83 2 3 1 33 232.351 3
Lo Low (pH 4.5-6) 1.37 6.8 -106.81 3 3 2 34 233.359 3

Activity (Go SEA)

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