UCSF

ZINC08818011

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 33 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) 3.92 10.83 -127.78 0 9 -2 146 442.383 6
Mid Mid (pH 6-8) 4.37 11.17 -71.43 1 9 -1 144 443.391 5
Mid Mid (pH 6-8) 3.34 11.2 -65.46 0 9 -1 140 443.391 6

Activity (Go SEA)

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