UCSF

ZINC18096888

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 26 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) 5.16 7.87 -10.39 2 5 0 75 368.458 4
Mid Mid (pH 6-8) 4.67 7.65 -49.97 1 5 -1 74 367.45 5

Activity (Go SEA)

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