UCSF

ZINC02801737

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 36 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) 7.72 12.28 -13.68 0 5 0 64 467.528 6
Lo Low (pH 4.5-6) 7.72 11.91 -52.74 1 5 1 66 468.536 6
Lo Low (pH 4.5-6) 7.72 12.64 -48.58 1 5 1 66 468.536 6

Activity (Go SEA)

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