UCSF

ZINC39963986

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 31 No

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) 2.35 12.28 -23.67 1 10 0 122 423.429 8
Mid Mid (pH 6-8) 2.35 12.75 -46.77 2 10 1 124 424.437 8

Activity (Go SEA)

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