UCSF

ZINC37981803

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 18 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) 0.17 -0.76 -11.98 2 6 0 88 292.382 5
Mid Mid (pH 6-8) 0.63 -3.04 -44.79 1 6 -1 91 291.374 5

Activity (Go SEA)

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