UCSF

ZINC00097994

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 3.60 12.16 -12.96 0 5 0 52 318.38 3
Mid Mid (pH 6-8) 3.60 12.68 -30.93 1 5 1 54 319.388 3
Lo Low (pH 4.5-6) 3.60 12.5 -35.46 1 5 1 54 319.388 3

Activity (Go SEA)

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