UCSF

ZINC09708550

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 26 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) 0.21 5.93 -46.22 3 7 1 83 359.45 7
Hi High (pH 8-9.5) 0.40 4.65 -47.36 2 7 0 89 358.442 7

Activity (Go SEA)

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