UCSF

ZINC37852189

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) 0.87 0.43 -5.21 2 5 0 54 300.443 8
Mid Mid (pH 6-8) 0.87 1.79 -44.3 3 5 1 59 301.451 8
Lo Low (pH 4.5-6) 0.87 2.69 -37.59 3 5 1 55 301.451 8

Activity (Go SEA)

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