UCSF

ZINC41731390

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 19 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) 0.34 7.32 -34.46 2 4 0 66 261.321 7
Hi High (pH 8-9.5) 0.34 6.01 -47.27 1 4 -1 61 260.313 7

Activity (Go SEA)

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