UCSF

ZINC43248126

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 1.15 0.95 -45.9 4 3 1 51 255.407 4
Hi High (pH 8-9.5) 1.15 0.75 -3.44 3 3 0 49 254.399 4
Mid Mid (pH 6-8) 1.15 2.78 -33.1 4 3 1 51 255.407 4
Lo Low (pH 4.5-6) 1.15 3.15 -117.56 5 3 2 52 256.415 4

Activity (Go SEA)

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