UCSF

ZINC25408467

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 27 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) 4.04 6.05 -9.55 1 5 0 54 389.565 4
Mid Mid (pH 6-8) 4.04 6.44 -34.78 2 5 1 56 390.573 4
Mid Mid (pH 6-8) 4.04 8.28 -40.92 2 5 1 56 390.573 4
Lo Low (pH 4.5-6) 4.04 8.67 -86.01 3 5 2 57 391.581 4

Activity (Go SEA)

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