UCSF

ZINC10779725

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2007 26 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) 2.98 9.49 -19.46 1 5 0 59 352.434 5
Mid Mid (pH 6-8) 3.05 8.12 -45.19 2 5 1 64 353.442 5

Activity (Go SEA)

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