UCSF

ZINC48995748

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 16 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) -0.39 5 -54.18 3 4 1 51 242.368 4
Mid Mid (pH 6-8) -0.39 2.81 -16.97 2 4 0 50 241.36 4

Activity (Go SEA)

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