UCSF

ZINC00424597

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 2.25 3.32 -23.15 1 4 0 59 224.285 2
Hi High (pH 8-9.5) 1.60 3.05 -40.41 0 4 -1 61 223.277 2

Activity (Go SEA)

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