UCSF

ZINC21034994

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.73 5.65 -45.51 0 4 -1 72 307.301 4
Lo Low (pH 4.5-6) 2.73 5.59 -14.89 1 4 0 70 308.309 4

Activity (Go SEA)

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