UCSF

ZINC49596443

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 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) 2.32 6.48 -111.1 3 3 2 30 289.217 6
Mid Mid (pH 6-8) 2.32 4.14 -38.42 2 3 1 29 288.209 6

Activity (Go SEA)

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