UCSF

ZINC42863525

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 2.35 6.38 -52.14 3 3 1 44 282.477 4
Lo Low (pH 4.5-6) 2.35 6.5 -176.03 4 3 0 45 283.485 4

Activity (Go SEA)

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