UCSF

ZINC37076422

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 2.39 7.7 -33.3 2 3 1 43 282.41 7
Hi High (pH 8-9.5) 2.39 6.72 -5.49 1 3 0 38 281.402 7

Activity (Go SEA)

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