UCSF

ZINC37531334

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 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) 4.35 7.67 -45.78 3 1 1 28 264.751 3
Hi High (pH 8-9.5) 4.35 7.45 -3.48 2 1 0 26 263.743 3

Activity (Go SEA)

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