UCSF

ZINC33688810

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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 7.5 -14.59 2 8 0 108 496.372 6
Hi High (pH 8-9.5) 4.26 8.79 -40.99 1 8 -1 111 495.364 6
Hi High (pH 8-9.5) 4.26 8.27 -44.6 1 8 -1 111 495.364 6

Activity (Go SEA)

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