UCSF

ZINC40539063

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 23 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) 1.81 6.02 -11.16 0 4 0 33 324.371 3
Mid Mid (pH 6-8) 1.81 8.02 -50.19 1 4 1 34 325.379 3

Activity (Go SEA)

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