UCSF

ZINC26895398

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 12 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) 1.34 2.06 -14.15 2 3 0 60 158.16 0
Hi High (pH 8-9.5) 1.34 2.85 -58.5 1 3 -1 63 157.152 0

Activity (Go SEA)

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