UCSF

ZINC37068810

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.63 6.57 -37.75 2 5 1 44 275.376 7
Hi High (pH 8-9.5) 1.63 4.05 -8.59 1 5 0 42 274.368 7

Activity (Go SEA)

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