UCSF

ZINC17003569

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 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) -0.33 5.1 -10.31 1 5 0 72 233.223 3
Hi High (pH 8-9.5) 1.31 4.97 -53.38 1 5 -1 82 232.215 3
Lo Low (pH 4.5-6) 1.31 4.01 -10.15 2 5 0 79 233.223 3

Activity (Go SEA)

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