UCSF

ZINC42607176

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 0.20 3.66 -35.87 3 4 1 49 281.42 9
Hi High (pH 8-9.5) 0.20 2.87 -4.6 2 4 0 48 280.412 9
Lo Low (pH 4.5-6) 0.20 5.49 -114.07 4 4 2 51 282.428 9

Activity (Go SEA)

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