UCSF

ZINC44686148

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 2.41 6.48 -47.53 2 4 1 53 286.399 6
Lo Low (pH 4.5-6) 2.41 8.82 -119.81 3 4 2 54 287.407 6
Lo Low (pH 4.5-6) 2.41 7.88 -39.85 2 4 1 49 286.399 6

Activity (Go SEA)

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