UCSF

ZINC13109239

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2008 23 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) 4.31 8.59 -53.78 1 3 -1 60 315.433 2
Lo Low (pH 4.5-6) 4.31 6.69 -9.26 2 3 0 58 316.441 2

Activity (Go SEA)

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