UCSF

ZINC42890739

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 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) 4.99 7.57 -45.58 3 1 1 28 315.27 2
Hi High (pH 8-9.5) 4.99 7.23 -3.13 2 1 0 26 314.262 2

Activity (Go SEA)

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