UCSF

ZINC42825413

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 15 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) 1.11 3.67 -123.33 5 3 2 53 216.369 6
Mid Mid (pH 6-8) 1.11 3.28 -33.6 4 3 1 52 215.361 6

Activity (Go SEA)

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