UCSF

ZINC44686409

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 3.36 6.46 -44.39 2 3 1 29 340.285 5
Hi High (pH 8-9.5) 3.36 5.53 -3.51 1 3 0 24 339.277 5
Mid Mid (pH 6-8) 3.36 7.93 -34.93 2 3 1 26 340.285 5

Activity (Go SEA)

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