UCSF

ZINC37094824

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 3.24 6.26 -38.58 3 2 1 31 276.231 6
Mid Mid (pH 6-8) 3.24 7.27 -106.28 4 2 2 32 277.239 6

Activity (Go SEA)

Rings

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