UCSF

ZINC39712264

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 11 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) 1.76 4.19 -107.76 4 2 2 33 160.305 6
Mid Mid (pH 6-8) 1.76 3.01 -33.22 3 2 1 29 159.297 6
Mid Mid (pH 6-8) 1.76 3.16 -33.66 3 2 1 29 159.297 6

Activity (Go SEA)

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