UCSF

ZINC01805088

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 20 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) 0.77 -1.06 -55.89 0 5 -1 75 307.376 4
Lo Low (pH 4.5-6) 0.77 -0.96 -89.99 1 5 0 76 308.384 4

Activity (Go SEA)

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