UCSF

ZINC13281668

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 19 Yes

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) 3.93 9.41 -8.3 1 2 0 29 248.329 3
Mid Mid (pH 6-8) 3.93 9.82 -27.98 2 2 1 30 249.337 3

Activity (Go SEA)

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