UCSF

ZINC42853999

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 26 No

Other Names:

MFCD04118003

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) -2.73 -1.45 -96.56 7 13 0 197 387.293 4
Hi High (pH 8-9.5) -2.73 -1.82 -56.33 6 13 -1 196 386.285 4
Lo Low (pH 4.5-6) -2.73 -0.98 -121.81 8 13 1 199 388.301 4

Activity (Go SEA)

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