UCSF

ZINC42871327

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 0.57 4.98 -59.81 3 4 1 61 304.37 3
Hi High (pH 8-9.5) 0.57 4.58 -11.68 2 4 0 59 303.362 3

Activity (Go SEA)

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