UCSF

ZINC34884500

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 26 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) 3.48 10.09 -47.01 2 4 1 40 395.285 3
Hi High (pH 8-9.5) 3.48 8.85 -5.15 1 4 0 36 394.277 3

Activity (Go SEA)

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