UCSF

ZINC04543555

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 24 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) 6.41 16.11 -45.84 0 2 -1 40 329.504 15
Lo Low (pH 4.5-6) 6.41 14.99 -7.28 1 2 0 37 330.512 15

Activity (Go SEA)

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