UCSF

ZINC37793128

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 2.40 7.46 -52.71 1 5 -1 93 271.296 4
Lo Low (pH 4.5-6) 2.40 5.52 -16.31 2 5 0 90 272.304 4

Activity (Go SEA)

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