UCSF

ZINC13283081

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 16 Yes

CAS Numbers: 612-95-3 , [612-95-3]

Other Names:

MFCD18449075

N/A

NA

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) 3.71 8.28 -7.15 0 1 0 13 205.26 1
Lo Low (pH 4.5-6) 3.71 8.56 -33.04 1 1 1 14 206.268 1

Activity (Go SEA)

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