UCSF

ZINC33813292

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 16 Yes

Other Names:

MFCD12096478

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) -0.31 -1.08 -14.42 1 6 0 79 244.272 2
Hi High (pH 8-9.5) 0.15 -2.17 -41.89 0 6 -1 83 243.264 2

Activity (Go SEA)

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