UCSF

ZINC45699662

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 20 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) 3.18 8.5 -34.6 1 3 1 25 277.432 8
Hi High (pH 8-9.5) 3.18 8.04 -34.55 1 3 1 25 277.432 8
Hi High (pH 8-9.5) 3.18 6.02 -7.24 0 3 0 24 276.424 8
Lo Low (pH 4.5-6) 3.18 10.53 -103.39 2 3 2 26 278.44 8

Activity (Go SEA)

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