UCSF

ZINC13831960

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 24 No

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) 3.52 9.9 -6.34 0 2 0 16 312.416 2
Mid Mid (pH 6-8) 3.52 10.25 -37.03 1 2 1 17 313.424 2
Lo Low (pH 4.5-6) 3.52 12.32 -113.71 2 2 2 19 314.432 2

Activity (Go SEA)

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