UCSF

ZINC33722707

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 32 No

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) 4.26 7.52 -16.28 2 8 0 108 496.372 6
Hi High (pH 8-9.5) 4.26 8.27 -22.12 1 8 0 111 495.364 6
Hi High (pH 8-9.5) 4.26 8.8 -44.74 1 8 -1 111 495.364 6

Activity (Go SEA)

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