UCSF

ZINC05158323

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 21 Yes

CAS Number: [53319-52-1]

Other Names:

MFCD20260624

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) 2.82 1.47 -17.71 1 5 0 72 286.283 4

Activity (Go SEA)

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