UCSF

ZINC01073570

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 28 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) 3.91 9.56 -12.23 1 4 0 55 371.415 4
Lo Low (pH 4.5-6) 3.91 10.01 -45.67 2 4 1 56 372.423 4

Activity (Go SEA)

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