UCSF

ZINC20468184

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 19 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) 1.53 4.88 -51.11 2 6 1 74 266.321 4
Mid Mid (pH 6-8) 1.53 2.51 -8.01 1 6 0 73 265.313 4

Activity (Go SEA)

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