UCSF

ZINC18180305

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 16 No

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) 2.30 6.93 -14.35 1 3 0 38 216.284 2
Mid Mid (pH 6-8) 2.75 5.12 -7.28 1 3 0 38 216.284 2

Activity (Go SEA)

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