UCSF

ZINC12341300

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2008 17 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) 2.32 4.62 -4.65 0 3 0 22 235.327 3
Lo Low (pH 4.5-6) 2.32 6.91 -32.06 1 3 1 23 236.335 3

Activity (Go SEA)

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