UCSF

ZINC37959174

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 12 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) -1.97 2.94 -31.26 2 4 0 57 172.228 2
Lo Low (pH 4.5-6) -1.97 4.18 -92.19 3 4 1 61 173.236 2

Activity (Go SEA)

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