UCSF

ZINC02558564

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 15 No

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) 2.41 1.21 -46.44 0 2 -1 37 225.243 2
Lo Low (pH 4.5-6) 2.41 1.28 -25.49 1 2 0 38 226.251 2

Activity (Go SEA)

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