UCSF

ZINC16551949

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 22 Yes

CAS Number:

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) 3.04 7.69 -8.09 1 3 0 42 298.43 3
Lo Low (pH 4.5-6) 3.04 8.05 -41.25 2 3 1 43 299.438 3

Activity (Go SEA)

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