UCSF

ZINC37797954

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.55 3.26 -42.16 3 4 1 57 223.296 5
Hi High (pH 8-9.5) 0.55 2.85 -8.54 2 4 0 56 222.288 5

Activity (Go SEA)

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