UCSF

ZINC32126186

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 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) 1.88 7.66 -75.22 3 4 2 30 281.444 10
Hi High (pH 8-9.5) 1.88 4.15 -44.59 2 4 1 32 280.436 10
Hi High (pH 8-9.5) 1.88 5.12 -36.09 2 4 1 29 280.436 10
Mid Mid (pH 6-8) 1.88 6.74 -85.74 3 4 2 34 281.444 10

Activity (Go SEA)

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