UCSF

ZINC19609148

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 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) 2.20 6.39 -37.02 1 3 1 17 237.367 7
Hi High (pH 8-9.5) 2.20 6.07 -35.76 1 3 1 17 237.367 7
Lo Low (pH 4.5-6) 2.20 8.34 -106.93 2 3 2 18 238.375 7

Activity (Go SEA)

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