UCSF

ZINC19867316

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 1.92 3.74 -54.57 3 5 -1 95 263.317 9
Lo Low (pH 4.5-6) 1.92 2.62 -17.73 4 5 0 92 264.325 9

Activity (Go SEA)

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