UCSF

ZINC34828122

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 38 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) 4.86 11.79 -13.59 1 10 0 140 522.554 9
Hi High (pH 8-9.5) 4.86 12.85 -58.3 0 10 -1 143 521.546 9
Mid Mid (pH 6-8) 5.04 10.97 -17.47 1 10 0 140 522.554 9
Mid Mid (pH 6-8) 5.02 11.46 -15.73 1 10 0 140 522.554 9

Activity (Go SEA)

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