UCSF

ZINC06122775

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 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) 2.18 2.98 -14.91 1 6 0 70 288.303 6
Lo Low (pH 4.5-6) 2.18 3.7 -42.44 2 6 1 71 289.311 6

Activity (Go SEA)

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