UCSF

ZINC34642015

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 25 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) 2.23 8.02 -47.21 2 6 1 66 411.32 9
Hi High (pH 8-9.5) 2.23 6.68 -12.32 1 6 0 62 410.312 9

Activity (Go SEA)

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