UCSF

ZINC45658842

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 2.54 4.46 -28.28 3 3 1 34 270.485 8
Hi High (pH 8-9.5) 2.54 4.95 -43.18 3 3 1 34 270.485 8
Hi High (pH 8-9.5) 2.54 4.81 -31.85 3 3 1 34 270.485 8
Mid Mid (pH 6-8) 2.54 8.2 -95.64 4 3 2 35 271.493 8
Mid Mid (pH 6-8) 2.54 5.05 -118.8 4 3 2 35 271.493 8
Lo Low (pH 4.5-6) 2.54 7.24 -219.82 5 3 3 37 272.501 8
Lo Low (pH 4.5-6) 2.54 6.2 -103.29 4 3 2 35 271.493 8

Activity (Go SEA)

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