UCSF

ZINC34993537

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 2.39 7.64 -36.73 2 3 1 23 274.432 6
Mid Mid (pH 6-8) 2.39 8.73 -34.42 2 3 1 20 274.432 6
Lo Low (pH 4.5-6) 2.39 10.09 -117.78 3 3 2 24 275.44 6

Activity (Go SEA)

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