UCSF

ZINC34526979

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 30 Yes

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) 5.50 9.74 -11.67 2 6 0 80 417.49 7
Hi High (pH 8-9.5) 5.50 9.69 -44.26 1 6 -1 82 416.482 7

Activity (Go SEA)

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