UCSF

ZINC42898039

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 2.11 4.73 -37.68 3 4 1 55 263.361 5
Hi High (pH 8-9.5) 2.11 3.55 -7.32 2 4 0 50 262.353 5

Activity (Go SEA)

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