UCSF

ZINC05602543

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 21 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) 2.33 -7.28 -15.98 1 5 0 80 390.28 4
Hi High (pH 8-9.5) 2.33 -6.7 -46.38 0 5 -1 82 389.272 4

Activity (Go SEA)

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