UCSF

ZINC44269379

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 20 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) 2.95 6.72 -9.91 2 4 0 57 284.75 2
Lo Low (pH 4.5-6) 2.95 6.96 -29.65 3 4 1 58 285.758 2

Activity (Go SEA)

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