UCSF

ZINC20431733

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 19 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) 1.38 2.95 -46.96 3 5 1 63 284.405 5
Hi High (pH 8-9.5) 1.38 0.42 -11.26 2 5 0 61 283.397 5

Activity (Go SEA)

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