UCSF

ZINC21795698

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 18 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) 5.04 8.73 -4.06 1 1 0 12 300.254 5
Lo Low (pH 4.5-6) 5.04 9.89 -49.41 2 1 1 17 301.262 5

Activity (Go SEA)

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