UCSF

ZINC00195345

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Other Names:

MFCD02011741

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) 1.66 6.1 -12.28 1 4 0 51 256.305 5
Lo Low (pH 4.5-6) 1.66 -0.66 -45.5 2 4 1 52 257.313 5
Lo Low (pH 4.5-6) 1.84 2.89 -35.22 2 4 1 56 257.313 5

Activity (Go SEA)

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