UCSF

ZINC37081874

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.56 6.3 -121.57 4 2 2 32 287.245 5
Mid Mid (pH 6-8) 2.56 5.14 -45.59 3 2 1 31 286.237 5
Mid Mid (pH 6-8) 2.56 6.44 -29.99 3 2 1 30 286.237 5

Activity (Go SEA)

Rings

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