UCSF

ZINC05141921

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 28 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) 4.27 10.83 -13.13 0 5 0 55 389.48 5
Lo Low (pH 4.5-6) 4.27 11.11 -44.64 1 5 1 57 390.488 5

Activity (Go SEA)

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