UCSF

ZINC64787819

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2011 32 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) 4.74 13.55 -12.68 0 6 0 61 431.536 9
Mid Mid (pH 6-8) 4.74 14.32 -34.99 1 6 1 62 432.544 9

Activity (Go SEA)

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