UCSF

ZINC36988432

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 1.60 5.71 -64.25 1 5 -1 81 282.36 4
Lo Low (pH 4.5-6) 1.60 3.27 -13.64 2 5 0 78 283.368 4

Activity (Go SEA)

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