UCSF

ZINC44689021

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 16 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) 1.73 4.75 -80.56 5 4 2 57 220.32 3
Hi High (pH 8-9.5) 1.73 1.9 -4.39 3 4 0 54 218.304 3
Mid Mid (pH 6-8) 1.73 2.37 -28.19 4 4 1 55 219.312 3

Activity (Go SEA)

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