UCSF

ZINC37825904

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) -1.51 0.28 -55.85 3 6 1 77 230.288 5
Lo Low (pH 4.5-6) -1.51 2.41 -107.98 4 6 2 79 231.296 5

Activity (Go SEA)

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