UCSF

ZINC20465567

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 31 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) 3.73 8.5 -54.68 2 6 1 66 445.653 7
Lo Low (pH 4.5-6) 3.73 10.84 -134.98 3 6 2 67 446.661 7
Lo Low (pH 4.5-6) 3.73 8.63 -64.55 2 6 1 66 445.653 7

Activity (Go SEA)

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