UCSF

ZINC42632453

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2010 19 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) 0.65 5.19 -47.64 1 6 1 64 267.353 6
Hi High (pH 8-9.5) 0.65 2.9 -14.61 0 6 0 62 266.345 6

Activity (Go SEA)

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