UCSF

ZINC00549888

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 26 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) 4.00 7.49 -11.4 0 5 0 47 349.434 3
Ref Reference (pH 7) 4.00 7.15 -12.57 0 5 0 47 349.434 3
Lo Low (pH 4.5-6) 4.00 9.8 -43.09 1 5 1 48 350.442 3
Lo Low (pH 4.5-6) 4.00 9.47 -43.85 1 5 1 48 350.442 3

Activity (Go SEA)

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