UCSF

ZINC01353421

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 22 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) 2.83 -1.31 -14.78 2 5 0 71 315.76 4
Lo Low (pH 4.5-6) 2.83 -1.67 -33.2 3 5 1 72 316.768 4

Activity (Go SEA)

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