UCSF

ZINC42463576

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.36 1.66 -40.3 3 4 1 53 225.312 5
Hi High (pH 8-9.5) 0.36 1.34 -3.93 2 4 0 52 224.304 5
Mid Mid (pH 6-8) 0.36 3.29 -27.68 3 4 1 53 225.312 5

Activity (Go SEA)

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