UCSF

ZINC42775807

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.06 7.22 -32.62 1 3 1 25 241.399 6
Hi High (pH 8-9.5) 2.06 6.54 -30.61 1 3 1 25 241.399 6
Hi High (pH 8-9.5) 2.06 4.75 -4.75 0 3 0 24 240.391 6
Lo Low (pH 4.5-6) 2.06 8.78 -100.78 2 3 2 26 242.407 6

Activity (Go SEA)

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