UCSF

ZINC35702224

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 14 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) 0.14 5.99 -20.32 0 4 0 51 195.218 4
Hi High (pH 8-9.5) 0.88 4.86 -56.21 0 4 -1 57 194.21 3

Activity (Go SEA)

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