UCSF

ZINC69899468

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 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) 1.63 8.17 -38.35 1 5 1 43 273.36 3
Hi High (pH 8-9.5) 1.63 5.63 -7.71 0 5 0 41 272.352 3
Mid Mid (pH 6-8) 1.63 8.62 -76.36 2 5 2 44 274.368 3
Lo Low (pH 4.5-6) 1.63 8.63 -83.8 2 5 2 44 274.368 3

Activity (Go SEA)

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