UCSF

ZINC05323124

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 18 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) 4.12 -4.26 -7.15 2 4 0 61 369.016 1
Lo Low (pH 4.5-6) 4.12 -4.16 -34.87 3 4 1 63 370.024 1

Activity (Go SEA)

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