UCSF

ZINC00967166

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2004 12 Yes

CAS Numbers: 1873-54-7 , [1873-54-7]

Other Names:

MFCD00190587

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) 2.84 0.76 -5.82 0 1 0 12 157.216 1
Lo Low (pH 4.5-6) 2.84 0.86 -27.44 1 1 1 14 158.224 1

Activity (Go SEA)

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