UCSF

ZINC37461925

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 16 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) -1.53 0.2 -41.18 1 7 -1 110 265.292 4
Mid Mid (pH 6-8) -1.07 -2.08 -103.13 0 7 -2 113 264.284 4

Activity (Go SEA)

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