UCSF

ZINC36213695

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 28 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) 0.45 2.69 -19.38 2 8 0 103 406.508 6
Hi High (pH 8-9.5) 1.75 2.55 -54.2 1 8 -1 106 405.5 6

Activity (Go SEA)

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