UCSF

ZINC00420975

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 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) 3.51 -3.22 -9.58 3 4 0 68 325.437 3
Lo Low (pH 4.5-6) 3.51 -3.18 -32.87 4 4 1 69 326.445 3

Activity (Go SEA)

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