UCSF

ZINC20309521

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 35 No

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) 2.16 4.92 -60.11 1 11 -1 148 482.469 8
Hi High (pH 8-9.5) 2.16 5.94 -127.83 0 11 -2 151 481.461 8
Mid Mid (pH 6-8) 2.16 7.32 -74.92 2 11 0 149 483.477 8

Activity (Go SEA)

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