UCSF

ZINC43968302

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 3.90 9.66 -106.82 3 2 2 21 242.451 8
Hi High (pH 8-9.5) 3.90 8.46 -35.92 2 2 1 16 241.443 8
Mid Mid (pH 6-8) 3.90 7.67 -35.16 2 2 1 20 241.443 8

Activity (Go SEA)

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