UCSF

ZINC37803039

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) 0.01 1.95 -48.59 3 6 1 69 295.407 5
Mid Mid (pH 6-8) 0.01 4.09 -96.9 4 6 2 70 296.415 5

Activity (Go SEA)

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