UCSF

ZINC25447094

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 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) 5.09 8.16 -13.54 2 6 0 88 447.557 6
Hi High (pH 8-9.5) 5.15 7.31 -106.98 0 6 -2 97 445.541 6
Mid Mid (pH 6-8) 5.09 8.23 -43.3 1 6 -1 90 446.549 6

Activity (Go SEA)

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