UCSF

ZINC39749779

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 23 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) 4.44 9.62 -62.24 1 4 -1 69 357.257 3
Lo Low (pH 4.5-6) 4.44 8.12 -9.59 2 4 0 66 358.265 3

Activity (Go SEA)

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