UCSF

ZINC43477629

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) 4.66 6.62 -43.17 3 2 1 37 256.797 7
Hi High (pH 8-9.5) 4.66 7.39 -57.03 2 2 0 40 255.789 7

Activity (Go SEA)

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