UCSF

ZINC18105473

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 10 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) 0.28 0.46 -9.93 1 4 0 59 157.198 1
Mid Mid (pH 6-8) 0.74 -0.87 -40.34 0 4 -1 62 156.19 1

Activity (Go SEA)

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