UCSF

ZINC37988989

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 16 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) 0.97 8.01 -51.23 2 4 1 47 217.296 4
Hi High (pH 8-9.5) 0.97 6.66 -10.78 1 4 0 43 216.288 4

Activity (Go SEA)

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