UCSF

ZINC37856484

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 14 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) 0.09 -0.21 -43.12 4 3 1 57 200.233 5
Hi High (pH 8-9.5) 0.09 -1.69 -6.62 3 3 0 52 199.225 5

Activity (Go SEA)

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