UCSF

ZINC36986802

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 1.04 5.39 -41 3 4 1 47 285.462 5
Mid Mid (pH 6-8) 1.04 4.82 -9.19 2 4 0 45 284.454 5
Lo Low (pH 4.5-6) 1.04 5.82 -90.1 4 4 2 48 286.47 5

Activity (Go SEA)

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