UCSF

ZINC35694704

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 16 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) 1.12 3.91 -6.26 3 4 0 64 214.272 3
Mid Mid (pH 6-8) 1.12 4.26 -28.17 4 4 1 65 215.28 3
Lo Low (pH 4.5-6) 1.12 4.43 -82.38 5 4 2 66 216.288 3

Activity (Go SEA)

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