UCSF

ZINC34885529

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) 3.21 9.94 -52.66 2 4 1 40 354.449 3
Hi High (pH 8-9.5) 3.21 8.6 -9.71 1 4 0 36 353.441 3

Activity (Go SEA)

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