UCSF

ZINC35837309

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 14 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) 2.03 5.6 -45.24 1 4 -1 69 191.21 2
Mid Mid (pH 6-8) 2.03 5.62 -54.52 1 4 -1 69 191.21 2

Activity (Go SEA)

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