UCSF

ZINC42171270

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 1.28 3.23 -77.31 4 5 2 53 270.421 6
Hi High (pH 8-9.5) 1.28 0.86 -35.01 3 5 1 52 269.413 6
Mid Mid (pH 6-8) 1.28 3.14 -84.34 4 5 2 53 270.421 6

Activity (Go SEA)

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