UCSF

ZINC00984370

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 28 No

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) 5.15 10.74 -120.89 0 4 -2 80 364.356 2
Lo Low (pH 4.5-6) 4.47 10.7 -57.11 0 4 -1 74 365.364 2

Activity (Go SEA)

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