UCSF

ZINC65577905

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 23 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) 1.58 4.24 -15.49 2 6 0 70 316.405 5
Mid Mid (pH 6-8) 1.58 6.25 -51.28 3 6 1 71 317.413 5
Lo Low (pH 4.5-6) 1.58 6.74 -87.46 4 6 2 73 318.421 5

Activity (Go SEA)

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