UCSF

ZINC36873905

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 Yes

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) 0.91 4.9 -52.27 4 4 1 66 260.361 5
Hi High (pH 8-9.5) 0.91 4.63 -8.15 3 4 0 64 259.353 5
Hi High (pH 8-9.5) 0.91 4.93 -28.58 4 4 1 65 260.361 5
Mid Mid (pH 6-8) 0.91 5.24 -117.67 5 4 2 67 261.369 5

Activity (Go SEA)

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