UCSF

ZINC32708112

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2009 30 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) 4.21 15.19 -39.21 1 6 1 61 423.562 8
Hi High (pH 8-9.5) 4.21 12.94 -13.71 0 6 0 60 422.554 8

Activity (Go SEA)

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