UCSF

ZINC20125995

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 2.01 5.11 -127.87 5 5 2 70 278.4 5
Mid Mid (pH 6-8) 2.01 4.14 -40.49 4 5 1 65 277.392 5

Activity (Go SEA)

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