UCSF

ZINC43604463

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 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) 0.33 4.03 -50.55 2 4 1 50 220.296 3
Lo Low (pH 4.5-6) 0.33 4.43 -91.68 3 4 2 51 221.304 3

Activity (Go SEA)

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