UCSF

ZINC19917873

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 16 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) 2.50 7 -40.65 2 2 1 29 219.352 3
Lo Low (pH 4.5-6) 2.50 7.45 -106.39 3 2 2 31 220.36 3

Activity (Go SEA)

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