UCSF

ZINC37806375

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 15 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) 0.53 4.08 -40.86 3 3 1 48 225.337 4
Hi High (pH 8-9.5) 0.53 3.87 -6.71 2 3 0 46 224.329 4

Activity (Go SEA)

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