UCSF

ZINC37110283

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) -0.01 5.04 -42.27 3 3 1 48 221.324 4
Mid Mid (pH 6-8) -0.01 4.71 -8.56 2 3 0 46 220.316 4

Activity (Go SEA)

Rings

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