UCSF

ZINC09512466

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 34 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) 3.20 10.31 -15.84 1 7 0 97 460.461 7
Mid Mid (pH 6-8) 2.62 10.96 -23.09 0 7 0 94 460.461 7
Lo Low (pH 4.5-6) 3.64 10.26 -60.33 2 7 1 98 461.469 6
Lo Low (pH 4.5-6) 2.62 11.24 -60.46 1 7 1 95 461.469 7

Activity (Go SEA)

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