UCSF

ZINC37333814

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 2.10 7.16 -33.47 1 2 1 22 214.235 4
Mid Mid (pH 6-8) 2.10 4.89 -8.8 0 2 0 20 213.227 4

Activity (Go SEA)

Rings

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