UCSF

ZINC42866659

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 15 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) 0.81 0.18 -56.68 4 4 1 74 235.373 5
Hi High (pH 8-9.5) 0.81 -0.22 -9.21 3 4 0 72 234.365 5

Activity (Go SEA)

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