UCSF

ZINC22778403

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 27 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) 2.81 7.47 -52.35 2 5 1 46 372.464 6
Mid Mid (pH 6-8) 2.81 5.01 -14.17 1 5 0 45 371.456 6

Activity (Go SEA)

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