UCSF

ZINC36722855

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 15 No

Other Names:

MFCD11138976

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) -0.24 6.07 -45.87 2 6 0 103 210.189 5
Hi High (pH 8-9.5) -0.24 4.73 -46.9 1 6 -1 98 209.181 5

Activity (Go SEA)

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