UCSF

ZINC43915750

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.18 5.94 -103.13 3 3 2 30 218.385 8
Mid Mid (pH 6-8) 2.18 5.1 -33.29 2 3 1 26 217.377 8

Activity (Go SEA)

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