UCSF

ZINC37037839

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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 5.08 -91.85 4 5 2 53 275.4 5
Hi High (pH 8-9.5) 0.31 3.27 -77 4 5 2 53 275.4 5
Mid Mid (pH 6-8) 0.31 5.53 -160.51 5 5 3 54 276.408 5
Mid Mid (pH 6-8) 0.31 2.82 -49.87 3 5 1 51 274.392 5

Activity (Go SEA)

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