UCSF

ZINC08764608

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 34 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) 3.88 -2.68 -19.97 2 7 0 92 455.514 8
Lo Low (pH 4.5-6) 3.88 -2.51 -52.69 3 7 1 94 456.522 8

Activity (Go SEA)

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