UCSF

ZINC37111248

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 1.51 4.32 -26.25 3 3 1 34 242.431 6
Hi High (pH 8-9.5) 1.51 4.64 -33.32 3 3 1 34 242.431 6
Mid Mid (pH 6-8) 1.51 6.39 -90.85 4 3 2 35 243.439 6
Mid Mid (pH 6-8) 1.51 4.45 -114.62 4 3 2 35 243.439 6

Activity (Go SEA)

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