UCSF

ZINC28605513

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2009 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) 4.10 5.77 -43.78 1 4 -1 64 309.37 3
Mid Mid (pH 6-8) 4.10 6.29 -21.1 2 4 0 62 310.378 3

Activity (Go SEA)

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