UCSF

ZINC19903834

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 1.97 7.44 -36.17 2 4 1 39 286.399 7
Hi High (pH 8-9.5) 1.97 5.16 -5.74 1 4 0 37 285.391 7
Lo Low (pH 4.5-6) 1.97 7.82 -91.24 3 4 2 40 287.407 7

Activity (Go SEA)

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