UCSF

ZINC22440988

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 38 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) 9.20 20.69 -190.39 3 4 3 17 537.986 11
Hi High (pH 8-9.5) 9.20 18.17 -104.41 2 4 2 15 536.978 11

Activity (Go SEA)

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