UCSF

ZINC37856694

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.61 -0.02 -12.15 2 6 0 92 299.377 4
Mid Mid (pH 6-8) 1.07 -2.2 -42.16 1 6 -1 95 298.369 4
Lo Low (pH 4.5-6) 0.61 0.46 -44.33 3 6 1 93 300.385 4

Activity (Go SEA)

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