UCSF

ZINC42582834

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 16 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 8.75 -36.32 1 2 1 28 223.384 4
Hi High (pH 8-9.5) 3.69 7.12 -6.04 0 2 0 27 222.376 4

Activity (Go SEA)

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