UCSF

ZINC04470473

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 31 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) 7.45 13.57 -11.74 1 4 0 55 428.557 5
Ref Reference (pH 7) 7.45 11.05 -11.59 1 4 0 55 428.557 5
Lo Low (pH 4.5-6) 7.45 12.4 -30.3 2 4 1 56 429.565 5
Lo Low (pH 4.5-6) 7.45 13.91 -27.8 2 4 1 56 429.565 5

Activity (Go SEA)

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