UCSF

ZINC58476010

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2011 16 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) 2.29 3.91 -17.4 3 3 0 37 223.34 7
Hi High (pH 8-9.5) 2.29 3.82 -4.74 2 3 0 35 222.332 7

Activity (Go SEA)

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