UCSF

ZINC42767821

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 1.25 5.53 -89.83 5 4 2 59 278.444 8
Hi High (pH 8-9.5) 1.25 5.71 -37.97 4 4 1 58 277.436 8
Mid Mid (pH 6-8) 1.25 6.57 -76.01 5 4 2 59 278.444 8
Lo Low (pH 4.5-6) 1.25 8.18 -178.35 6 4 3 60 279.452 8

Activity (Go SEA)

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