UCSF

ZINC09361240

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 29 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) 3.12 8.46 -17.36 1 9 0 116 415.427 7
Hi High (pH 8-9.5) 3.19 7.52 -46.34 0 9 -1 122 414.419 7

Activity (Go SEA)

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