UCSF

ZINC08744458

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 33 No

Other Names:

MFCD02048022

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) 3.63 9.55 -50.39 0 7 -1 83 506.38 4
Lo Low (pH 4.5-6) 3.17 12.03 -10.47 1 7 0 80 507.388 4

Activity (Go SEA)

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