UCSF

ZINC04314867

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 25 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) 1.25 8.6 -14.8 2 8 0 102 341.371 6
Mid Mid (pH 6-8) 1.25 9.02 -41.17 3 8 1 103 342.379 6

Activity (Go SEA)

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