UCSF

ZINC34485209

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 14 No

CAS Number: 777075-44-2

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) -1.03 -1.75 -117.42 4 6 -1 120 221.173 2
Lo Low (pH 4.5-6) -1.03 -2.87 -53.1 5 6 0 117 222.181 2

Activity (Go SEA)

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