UCSF

ZINC43445213

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 13 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) -0.31 1.84 -103.85 5 3 2 52 188.315 8
Hi High (pH 8-9.5) -0.31 1.46 -33.31 4 3 1 51 187.307 8
Mid Mid (pH 6-8) -0.31 -0.24 -43.19 4 3 1 51 187.307 8

Activity (Go SEA)

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