UCSF

ZINC18285935

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2008 28 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) 2.13 7.82 -11.83 0 6 0 53 383.423 4
Mid Mid (pH 6-8) 2.13 9.98 -52.43 1 6 1 54 384.431 4

Activity (Go SEA)

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