UCSF

ZINC25521939

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 31 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) 3.36 6.78 -26.75 2 7 0 97 439.537 9
Hi High (pH 8-9.5) 3.36 6.85 -64.3 1 7 -1 99 438.529 9
Lo Low (pH 4.5-6) 3.36 7.22 -56.6 3 7 1 99 440.545 9

Activity (Go SEA)

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