UCSF

ZINC12769823

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 31 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) 3.09 7.32 -15.96 1 7 0 85 440.521 8
Hi High (pH 8-9.5) 3.09 7.34 -56.79 0 7 -1 87 439.513 8

Activity (Go SEA)

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