UCSF

ZINC33830999

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 33 Yes

CAS Number: [24513-57-3]

Other Names:

MFCD20260790

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) 5.96 7.71 -4.81 3 3 0 61 458.727 1

Activity (Go SEA)

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