UCSF

ZINC39034761

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 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) 2.90 7.4 -122.57 4 2 2 32 275.223 3
Hi High (pH 8-9.5) 2.90 6.95 -30.51 3 2 1 30 274.215 3
Mid Mid (pH 6-8) 2.90 5.95 -42.64 3 2 1 31 274.215 3

Activity (Go SEA)

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