UCSF

ZINC21815167

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 17 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) 4.02 8.9 -39.23 2 2 1 20 243.459 10
Hi High (pH 8-9.5) 4.02 9.69 -32.64 2 2 1 16 243.459 10
Mid Mid (pH 6-8) 4.02 9.74 -115.07 3 2 2 21 244.467 10

Activity (Go SEA)

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