UCSF

ZINC35605123

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 16 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) -1.23 -0.15 -7.57 4 4 0 75 222.288 5
Mid Mid (pH 6-8) -1.23 0.18 -42.93 5 4 1 77 223.296 5

Activity (Go SEA)

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