UCSF

ZINC15899771

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2008 27 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) 3.47 7.62 -46.33 1 6 -1 85 389.476 6
Mid Mid (pH 6-8) 3.47 7.68 -14.7 2 6 0 83 390.484 6

Activity (Go SEA)

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