UCSF

ZINC06184532

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 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) 3.89 5.95 -49.88 0 4 -1 61 329.426 4
Lo Low (pH 4.5-6) 3.89 6.41 -12.69 1 4 0 63 330.434 4

Activity (Go SEA)

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