UCSF

ZINC01187229

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 27 No

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) 3.83 6.54 -44.4 0 6 -1 84 383.811 4
Lo Low (pH 4.5-6) 3.38 8.31 -11.49 1 6 0 81 384.819 4

Activity (Go SEA)

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