UCSF

ZINC37332196

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 17 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) 0.38 1.9 -29.57 0 7 -1 89 238.223 4
Mid Mid (pH 6-8) 0.38 2.35 -15.75 1 7 0 91 239.231 4
Lo Low (pH 4.5-6) 0.38 4.55 -55.27 2 7 1 92 240.239 4

Activity (Go SEA)

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