UCSF

ZINC34248839

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2009 13 Yes

Other Names:

MFCD20725270

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) 0.07 2.29 -96.51 4 3 2 35 187.331 4
Hi High (pH 8-9.5) 0.07 0.28 -42.71 3 3 1 34 186.323 4
Lo Low (pH 4.5-6) 0.07 4.46 -203.86 5 3 3 37 188.339 4

Activity (Go SEA)

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