UCSF

ZINC25537952

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 26 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) 3.45 6.63 -17.19 1 5 0 54 367.474 7
Mid Mid (pH 6-8) 3.45 8.95 -58.81 2 5 1 56 368.482 7

Activity (Go SEA)

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