UCSF

ZINC50850634

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2010 17 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) 4.34 7.55 -4.93 1 3 0 38 235.375 4
Mid Mid (pH 6-8) 4.34 7.76 -21.71 2 3 1 39 236.383 4

Activity (Go SEA)

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