UCSF

ZINC37123625

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 18 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) 3.54 9.26 -7.07 1 3 0 30 243.354 5
Mid Mid (pH 6-8) 3.54 9.97 -32.31 2 3 1 31 244.362 5

Activity (Go SEA)

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