UCSF

ZINC01250584

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 27 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) 2.07 4.64 -50.72 0 7 -1 93 369.328 4
Lo Low (pH 4.5-6) 1.61 6.41 -15.3 1 7 0 90 370.336 4

Activity (Go SEA)

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