UCSF

ZINC28772066

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 25 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) 4.76 10.02 -56.59 1 4 -1 61 332.379 7
Lo Low (pH 4.5-6) 4.76 8.9 -11.94 2 4 0 59 333.387 7

Activity (Go SEA)

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