UCSF

ZINC53915178

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 25 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) 2.98 8.29 -21.31 1 5 0 63 336.391 4
Hi High (pH 8-9.5) 2.98 9.05 -52.45 0 5 -1 65 335.383 4

Activity (Go SEA)

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