UCSF

ZINC37098477

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 0.36 3.8 -33.56 4 4 1 68 193.274 4
Mid Mid (pH 6-8) 0.36 4.76 -6.56 3 4 0 66 192.266 4

Activity (Go SEA)

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