UCSF

ZINC20462218

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 30 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) 3.24 7.01 -13.33 1 6 0 70 421.884 1
Ref Reference (pH 7) 3.24 6.81 -9.05 1 6 0 70 421.884 1
Lo Low (pH 4.5-6) 3.24 9.22 -36.19 2 6 1 71 422.892 1

Activity (Go SEA)

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