UCSF

ZINC28460089

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 22 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) 1.98 7 -99.81 0 6 -2 99 316.394 13
Lo Low (pH 4.5-6) 1.98 5.88 -53.39 1 6 -1 96 317.402 13

Activity (Go SEA)

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