UCSF

ZINC33777528

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 34 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) 5.08 10.85 -18.14 2 7 0 88 495.626 7
Hi High (pH 8-9.5) 5.08 10.92 -51.45 1 7 -1 90 494.618 7

Activity (Go SEA)

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