UCSF

ZINC01297360

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 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) 3.42 9.67 -54.61 1 5 -1 74 374.445 2
Lo Low (pH 4.5-6) 2.96 10.75 -15.52 2 5 0 71 375.453 2

Activity (Go SEA)

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