UCSF

ZINC12318134

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 29 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) 2.01 -1.66 -49.09 2 6 1 65 396.511 7
Lo Low (pH 4.5-6) 2.01 -1.55 -90.94 3 6 2 66 397.519 7

Activity (Go SEA)

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