UCSF

ZINC34989711

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 2.60 9.66 -51.52 1 5 1 67 263.317 4
Hi High (pH 8-9.5) 2.60 7.47 -9.25 0 5 0 66 262.309 4

Activity (Go SEA)

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