UCSF

ZINC20362668

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 20 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) 0.73 3.29 -53.87 3 7 1 95 279.32 4
Mid Mid (pH 6-8) 0.73 4.05 -47.16 3 7 1 91 279.32 4
Lo Low (pH 4.5-6) 0.73 5.45 -132.6 4 7 2 96 280.328 4

Activity (Go SEA)

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