UCSF

ZINC13804394

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 22 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) 4.92 8.72 -10.86 1 4 0 58 310.378 3
Mid Mid (pH 6-8) 4.43 8.24 -47.07 0 4 -1 57 309.37 4

Activity (Go SEA)

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