UCSF

ZINC04521306

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2005 16 No

CAS Number: 17397-89-6

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) 0.50 -2.14 -17.46 2 4 0 72 223.272 7

Activity (Go SEA)

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