UCSF

ZINC44683939

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 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) 1.41 4.77 -30.63 2 3 1 20 238.399 4
Hi High (pH 8-9.5) 1.41 4.66 -33.37 2 3 1 20 238.399 4
Mid Mid (pH 6-8) 1.41 7 -77.62 3 3 2 21 239.407 4

Activity (Go SEA)

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