UCSF

ZINC44685627

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.41 8.74 -187.18 4 3 3 25 252.426 3
Hi High (pH 8-9.5) 1.41 6.23 -29.81 2 3 1 20 250.41 3
Lo Low (pH 4.5-6) 1.41 6.33 -98.99 3 3 2 24 251.418 3
Lo Low (pH 4.5-6) 1.41 8.62 -78.38 3 3 2 21 251.418 3

Activity (Go SEA)

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