UCSF

ZINC41051544

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 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) 1.21 2.08 -41.42 3 2 1 31 159.297 4
Mid Mid (pH 6-8) 1.21 3.43 -27.27 3 2 1 30 159.297 4
Mid Mid (pH 6-8) 1.21 3.75 -112.02 4 2 2 32 160.305 4

Activity (Go SEA)

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