UCSF

ZINC03880706

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 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) 5.03 11.08 -15.79 0 2 0 30 297.357 3
Mid Mid (pH 6-8) 5.03 11.46 -29.01 1 2 1 31 298.365 3

Activity (Go SEA)

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