UCSF

ZINC26377839

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 23 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) 2.38 8.26 -36.45 1 5 1 54 309.393 2
Hi High (pH 8-9.5) 2.38 5.99 -7.11 0 5 0 52 308.385 2

Activity (Go SEA)

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