UCSF

ZINC13359862

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 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) 3.23 8.27 -12.12 1 3 0 42 288.35 4
Lo Low (pH 4.5-6) 3.23 8.55 -37.36 2 3 1 43 289.358 4

Activity (Go SEA)

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