UCSF

ZINC45658530

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 0.92 5.02 -94.97 4 3 2 35 215.385 5
Hi High (pH 8-9.5) 0.92 1.2 -41.58 3 3 1 34 214.377 5
Hi High (pH 8-9.5) 0.92 2.79 -31.16 3 3 1 34 214.377 5
Mid Mid (pH 6-8) 0.92 3.48 -103.69 4 3 2 35 215.385 5

Activity (Go SEA)

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