UCSF

ZINC37980793

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 12 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) -0.96 1.21 -60.96 2 5 1 79 167.192 4
Mid Mid (pH 6-8) -0.96 -0.15 -11.6 1 5 0 75 166.184 4

Activity (Go SEA)

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