UCSF

ZINC26898976

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 13 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) 1.69 5.57 -36.41 2 3 1 29 245.144 4
Hi High (pH 8-9.5) 1.69 3.04 -4.25 1 3 0 28 244.136 4

Activity (Go SEA)

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