UCSF

ZINC37818544

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) -1.81 0.07 -46.83 5 8 1 122 267.313 5
Hi High (pH 8-9.5) -1.81 -0.28 -15.28 4 8 0 120 266.305 5

Activity (Go SEA)

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