UCSF

ZINC21520508

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 21 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) 1.44 4.08 -14.71 1 5 0 64 307.419 4
Lo Low (pH 4.5-6) 1.44 4.18 -38.77 2 5 1 65 308.427 4

Activity (Go SEA)

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