UCSF

ZINC04213144

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 33 Yes

CAS Number: 124784-31-2

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) 3.87 -1.21 -11.66 1 8 0 83 469.563 10

Activity (Go SEA)

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