UCSF

ZINC36328448

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 19 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) 2.27 8.34 -33.52 3 2 1 30 261.433 4
Mid Mid (pH 6-8) 2.27 8.75 -130.58 4 2 2 32 262.441 4

Activity (Go SEA)

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