UCSF

ZINC52956195

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 45 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) 5.18 9.82 -20.53 3 12 0 167 618.591 15
Hi High (pH 8-9.5) 5.18 10.74 -53.89 2 12 -1 170 617.583 15

Activity (Go SEA)

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