UCSF

ZINC09898108

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2007 27 Yes

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) 4.38 -2.34 -17.26 2 5 0 71 379.485 4
Lo Low (pH 4.5-6) 4.38 -2.3 -41.54 3 5 1 72 380.493 4

Activity (Go SEA)

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