UCSF

ZINC26898158

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 13 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) 1.42 2.55 -4.73 0 2 0 16 175.231 2
Lo Low (pH 4.5-6) 1.42 5.12 -39.65 1 2 1 17 176.239 2

Activity (Go SEA)

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