UCSF

ZINC37080198

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) 3.31 10.27 -31.53 1 3 0 45 293.363 5
Hi High (pH 8-9.5) 3.31 7.61 -50.75 0 3 -1 43 292.355 5

Activity (Go SEA)

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