UCSF

ZINC43982608

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.98 6.52 -46.3 2 2 1 20 285.333 5
Hi High (pH 8-9.5) 2.98 5.29 -5.32 1 2 0 15 284.325 5

Activity (Go SEA)

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