UCSF

ZINC08464942

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2006 18 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) 1.24 6 -12.58 0 6 0 95 240.222 3
Lo Low (pH 4.5-6) 1.24 6.27 -38.22 1 6 1 97 241.23 3
Lo Low (pH 4.5-6) 1.24 6.27 -44.67 1 6 1 97 241.23 3
Lo Low (pH 4.5-6) 1.24 6.53 -102.5 2 6 2 98 242.238 3

Activity (Go SEA)

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