UCSF

ZINC36957002

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 5.73 6.67 -5.09 2 2 0 32 425.935 3
Mid Mid (pH 6-8) 5.73 7.42 -31.76 1 2 -1 35 424.927 3

Activity (Go SEA)

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