UCSF

ZINC37822587

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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 5.19 -49.21 2 4 1 61 242.368 5
Mid Mid (pH 6-8) 0.39 4.05 -10.54 1 4 0 56 241.36 5

Activity (Go SEA)

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