UCSF

ZINC01529258

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 24 No

CAS Number: [82009-34-5]

Other Names:

MFCD00867379

MFCD01723686

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) -0.81 8.64 -92.49 4 7 -1 137 357.452 11
Hi High (pH 8-9.5) -0.81 8.32 -115.19 3 7 -2 135 356.444 11

Activity (Go SEA)

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