UCSF

ZINC42372060

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 13 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) 1.64 6.84 -97.65 3 2 2 21 184.327 5
Hi High (pH 8-9.5) 1.64 5.54 -32.29 2 2 1 16 183.319 5
Mid Mid (pH 6-8) 1.64 4.37 -34.16 2 2 1 20 183.319 5

Activity (Go SEA)

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