UCSF

ZINC01356346

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 26 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) 3.54 6.36 -15.58 3 6 0 90 388.518 6
Lo Low (pH 4.5-6) 3.54 6.7 -29.12 4 6 1 91 389.526 6
Lo Low (pH 4.5-6) 3.54 3.38 -35.4 4 6 1 91 389.526 6

Activity (Go SEA)

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