UCSF

ZINC03170783

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 19 Yes

Other Names:

MFCD00120414

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) 2.89 -1.4 -9.42 1 3 0 46 271.341 3
Hi High (pH 8-9.5) 2.89 -0.82 -44.56 0 3 -1 48 270.333 3

Activity (Go SEA)

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