UCSF

ZINC06316064

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 22 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) 4.14 -0.93 -11.56 1 4 0 69 314.41 4
Hi High (pH 8-9.5) 4.14 -0.36 -41.67 0 4 -1 72 313.402 4

Activity (Go SEA)

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