UCSF

ZINC28218473

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 22 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) 3.17 10.52 -36.41 2 6 1 70 316.772 2
Mid Mid (pH 6-8) 3.17 9.59 -19.96 1 6 0 68 315.764 2
Lo Low (pH 4.5-6) 3.17 11.06 -104.3 3 6 2 71 317.78 2

Activity (Go SEA)

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