UCSF

ZINC42451094

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 1.15 4.19 -40.01 2 3 1 44 198.334 7
Lo Low (pH 4.5-6) 1.15 6.31 -126.26 3 3 2 45 199.342 7

Activity (Go SEA)

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