UCSF

ZINC37835128

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.53 5.28 -61.1 2 6 -1 104 293.343 4
Lo Low (pH 4.5-6) 0.53 3.12 -16.96 3 6 0 101 294.351 4

Activity (Go SEA)

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