UCSF

ZINC61820116

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 14 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) 2.08 6.77 -112.43 3 2 2 21 198.354 2
Hi High (pH 8-9.5) 2.08 4.4 -32.23 2 2 1 20 197.346 2
Mid Mid (pH 6-8) 2.08 5.43 -31.58 2 2 1 16 197.346 2

Activity (Go SEA)

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