UCSF

ZINC42860541

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 1.49 2.82 -50.24 3 3 1 44 240.396 4
Mid Mid (pH 6-8) 1.49 4.64 -113.81 4 3 2 45 241.404 4

Activity (Go SEA)

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