UCSF

ZINC37825389

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.97 -0.25 -39.87 4 5 1 77 257.354 5
Hi High (pH 8-9.5) 0.97 -1.41 -10.8 3 5 0 73 256.346 5

Activity (Go SEA)

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