UCSF

ZINC34442025

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 20 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) 3.62 4.31 -11.14 2 4 0 67 292.718 4
Hi High (pH 8-9.5) 3.62 6.09 -120.93 0 4 -2 72 290.702 4
Mid Mid (pH 6-8) 3.62 5.09 -41.6 1 4 -1 70 291.71 4
Mid Mid (pH 6-8) 3.62 5.32 -48.76 1 4 -1 70 291.71 4

Activity (Go SEA)

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