UCSF

ZINC15436434

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 34 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) 3.77 6.45 -19.35 2 8 0 113 499.614 7
Hi High (pH 8-9.5) 3.77 6.51 -53.48 1 8 -1 115 498.606 7

Activity (Go SEA)

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