UCSF

ZINC13570473

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 26 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) 3.69 7.69 -25.33 1 7 0 83 369.402 5
Hi High (pH 8-9.5) 3.87 6.62 -48.47 0 7 -1 89 368.394 5

Activity (Go SEA)

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