UCSF

ZINC13905225

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2008 28 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) 4.88 11.96 -12.58 1 7 0 82 392.544 13
Mid Mid (pH 6-8) 4.88 12.45 -48.01 2 7 1 83 393.552 13

Activity (Go SEA)

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