UCSF

ZINC37084168

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) 1.27 3.57 -106.51 4 3 2 35 239.407 3
Hi High (pH 8-9.5) 1.27 3.19 -31.7 3 3 1 34 238.399 3
Hi High (pH 8-9.5) 1.27 1.12 -41.47 3 3 1 34 238.399 3
Mid Mid (pH 6-8) 1.27 3.45 -112.11 4 3 2 35 239.407 3
Lo Low (pH 4.5-6) 1.27 5.79 -219.93 5 3 3 37 240.415 3

Activity (Go SEA)

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