UCSF

ZINC19688560

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 15 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) -0.71 -1.57 -57.56 3 5 1 68 236.361 5
Mid Mid (pH 6-8) -0.71 0.76 -107.05 4 5 2 69 237.369 5

Activity (Go SEA)

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