UCSF

ZINC37794362

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 1.77 4.74 -50.69 2 7 -1 108 291.283 6
Lo Low (pH 4.5-6) 1.77 2.74 -12.88 3 7 0 105 292.291 6

Activity (Go SEA)

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