UCSF

ZINC44884877

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 16 Yes

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) -2.81 0.37 -45.18 3 10 -1 139 222.192 4
Lo Low (pH 4.5-6) -2.81 0.37 -19.96 4 10 0 140 223.2 4

Activity (Go SEA)

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