UCSF

ZINC31474869

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 25 Yes

CAS Number: [30413-84-4]

Other Names:

MFCD17214809

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) 2.44 4.85 -10.48 1 5 0 51 341.407 3

Activity (Go SEA)

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