UCSF

ZINC25445391

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 32 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) 4.22 8.02 -46.27 1 7 -1 103 483.517 8
Hi High (pH 8-9.5) 4.28 7.12 -90.39 0 7 -2 109 482.509 8
Mid Mid (pH 6-8) 4.22 7.95 -23.02 2 7 0 101 484.525 8

Activity (Go SEA)

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