UCSF

ZINC35282292

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 30 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) 3.49 10.51 -75.83 1 6 0 74 428.916 8
Lo Low (pH 4.5-6) 3.49 9.76 -56.24 2 6 1 71 429.924 8

Activity (Go SEA)

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