UCSF

ZINC21087763

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 35 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) 2.93 9.6 -58.58 2 7 1 60 476.645 7
Mid Mid (pH 6-8) 2.93 9.61 -54.12 2 7 1 60 476.645 7
Mid Mid (pH 6-8) 2.93 7.29 -17.11 1 7 0 59 475.637 7

Activity (Go SEA)

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