UCSF

ZINC01016355

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 27 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) 5.27 11.33 -12.21 0 4 0 36 358.441 6
Lo Low (pH 4.5-6) 5.27 12.12 -28.29 1 4 1 38 359.449 6

Activity (Go SEA)

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