UCSF

ZINC36354048

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 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) 3.53 8.19 -10.19 1 4 0 50 323.783 2
Ref Reference (pH 7) 3.35 10.85 -10.29 1 4 0 47 323.783 2
Lo Low (pH 4.5-6) 3.53 8.65 -33.29 2 4 1 52 324.791 2

Activity (Go SEA)

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