UCSF

ZINC25393926

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 27 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) 2.92 6.1 -16.64 1 6 0 64 369.465 7
Mid Mid (pH 6-8) 2.92 8.17 -52.9 2 6 1 65 370.473 7

Activity (Go SEA)

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