UCSF

ZINC25666883

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2009 35 No

CAS Number: 184179-08-6

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) -3.51 0.76 -175.72 4 15 -3 254 499.453 16
Lo Low (pH 4.5-6) -3.51 -0.36 -118.04 5 15 -2 251 500.461 16

Activity (Go SEA)

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