UCSF

ZINC36993406

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 5.31 11.32 -35.25 2 2 1 30 286.439 8
Mid Mid (pH 6-8) 5.31 10.39 -3.38 1 2 0 25 285.431 8

Activity (Go SEA)

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