UCSF

ZINC20303506

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 13 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) 0.43 4.07 -37.48 1 3 1 25 185.291 4
Hi High (pH 8-9.5) 0.43 1.69 -6.26 0 3 0 24 184.283 4
Mid Mid (pH 6-8) 0.43 4.06 -38.64 1 3 1 25 185.291 4

Activity (Go SEA)

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