UCSF

ZINC37855991

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 1.75 5.65 -108.22 4 4 2 51 282.428 10
Hi High (pH 8-9.5) 1.75 4.25 -35.03 3 4 1 46 281.42 10
Mid Mid (pH 6-8) 1.75 6.18 -45.87 3 4 1 53 281.42 10

Activity (Go SEA)

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