UCSF

ZINC37122858

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 4.10 11.32 -98.97 3 2 2 21 310.551 6
Hi High (pH 8-9.5) 4.10 10.61 -35.44 2 2 1 16 309.543 6

Activity (Go SEA)

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