UCSF

ZINC37109683

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 2.14 4.92 -129.23 4 4 2 51 304.381 8
Mid Mid (pH 6-8) 2.14 4.13 -46.66 3 4 1 49 303.373 8
Mid Mid (pH 6-8) 2.14 4.55 -35.42 3 4 1 49 303.373 8

Activity (Go SEA)

Rings

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