UCSF

ZINC43429692

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.85 6.81 -29.02 2 3 0 57 227.329 5
Hi High (pH 8-9.5) 0.85 5.83 -47.49 1 3 -1 52 226.321 5

Activity (Go SEA)

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