UCSF

ZINC08771359

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 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) 1.87 5.88 -63.75 0 7 -1 92 370.381 7
Lo Low (pH 4.5-6) 1.87 5.06 -15.81 1 7 0 89 371.389 7

Activity (Go SEA)

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