UCSF

ZINC37039188

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -0.55 -0.08 -52.72 4 7 1 97 316.451 5
Mid Mid (pH 6-8) -0.55 1.71 -119.97 5 7 2 98 317.459 5

Activity (Go SEA)

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