UCSF

ZINC35430522

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 30 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) 3.36 10.91 -15.58 0 6 0 58 422.554 2
Mid Mid (pH 6-8) 3.36 11.4 -46.49 1 6 1 59 423.562 2

Activity (Go SEA)

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