UCSF

ZINC57531472

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 25 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) 1.58 6.15 -19 2 6 0 74 334.379 3
Lo Low (pH 4.5-6) 1.58 6.62 -44.36 3 6 1 76 335.387 3

Activity (Go SEA)

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