UCSF

ZINC01219453

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2004 26 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) 2.13 8.71 -36.35 0 7 -1 106 351.338 5
Lo Low (pH 4.5-6) 2.13 7.95 -11.21 1 7 0 103 352.346 5

Activity (Go SEA)

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