UCSF

ZINC20442189

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 15 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) 0.54 2.07 -113.96 4 3 2 35 213.369 3
Hi High (pH 8-9.5) 0.54 -0.75 -41.22 3 3 1 34 212.361 3
Mid Mid (pH 6-8) 0.54 1.31 -1.6 3 3 0 34 212.361 3
Mid Mid (pH 6-8) 0.54 -0.13 -15.5 4 3 0 35 213.369 3
Lo Low (pH 4.5-6) 0.54 3.84 -17.2 5 3 0 37 214.377 3

Activity (Go SEA)

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