UCSF

ZINC00755777

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 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) 4.49 -2.78 -12.26 3 5 0 77 375.453 4
Lo Low (pH 4.5-6) 4.49 -2.66 -36.43 4 5 1 78 376.461 4

Activity (Go SEA)

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