UCSF

ZINC37096996

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 1.11 4.52 -106.62 4 3 2 35 239.407 5
Hi High (pH 8-9.5) 1.11 2.08 -41.36 3 3 1 34 238.399 5
Hi High (pH 8-9.5) 1.11 4.42 -30.25 3 3 1 34 238.399 5
Mid Mid (pH 6-8) 1.11 2.96 -26.74 3 3 1 34 238.399 5
Mid Mid (pH 6-8) 1.11 3.74 -113.75 4 3 2 35 239.407 5
Lo Low (pH 4.5-6) 1.11 6.15 -91.77 4 3 2 35 239.407 5
Lo Low (pH 4.5-6) 1.11 6.15 -210.73 5 3 3 37 240.415 5

Activity (Go SEA)

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