UCSF

ZINC44199365

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 16 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) 0.83 6.96 -112.12 0 7 -2 126 223.14 4
Lo Low (pH 4.5-6) 0.83 5 -40.73 1 7 -1 123 224.148 4

Activity (Go SEA)

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