UCSF

ZINC37028567

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) -0.35 -0.12 -39.57 4 6 1 92 245.299 5
Hi High (pH 8-9.5) -0.16 -2.01 -34.16 3 6 0 99 244.291 5

Activity (Go SEA)

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