UCSF

ZINC44648766

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 1.04 4.81 -40.81 3 5 1 72 271.362 8
Hi High (pH 8-9.5) 1.04 3.45 -11.19 2 5 0 67 270.354 8

Activity (Go SEA)

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