UCSF

ZINC06320939

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2006 21 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) 4.55 6.58 -11.05 2 4 0 57 368.593 2
Hi High (pH 8-9.5) 5.01 4.54 -45.65 1 4 -1 60 367.585 2

Activity (Go SEA)

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