UCSF

ZINC24957452

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 22 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) 2.60 5.46 -15.52 1 6 0 82 321.354 7
Hi High (pH 8-9.5) 2.60 5.53 -49.29 0 6 -1 84 320.346 7

Activity (Go SEA)

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