UCSF

ZINC37835915

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) -1.25 -0.67 -49.73 2 6 -1 101 216.213 6
Lo Low (pH 4.5-6) -1.25 -2.68 -11.27 3 6 0 98 217.221 6

Activity (Go SEA)

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