UCSF

ZINC20094514

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 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) 2.52 7.72 -87.15 3 3 2 21 255.45 4
Lo Low (pH 4.5-6) 2.52 8.79 -198.31 4 3 3 25 256.458 4

Activity (Go SEA)

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