UCSF

ZINC16082904

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2008 15 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) -0.21 3.88 -7.33 2 3 0 46 204.273 2
Ref Reference (pH 7) -0.21 3.87 -5.69 2 3 0 46 204.273 2
Mid Mid (pH 6-8) -0.21 4.19 -43.41 3 3 1 48 205.281 2

Activity (Go SEA)

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