UCSF

ZINC41677066

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 15 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) 2.04 8.09 -29.09 1 3 0 45 227.329 5
Hi High (pH 8-9.5) 2.04 5.9 -48.59 0 3 -1 43 226.321 5

Activity (Go SEA)

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