UCSF

ZINC19803796

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 0.60 6.43 -60.13 2 5 -1 81 269.365 4
Lo Low (pH 4.5-6) 0.60 4.2 -12.12 3 5 0 78 270.373 4

Activity (Go SEA)

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