UCSF

ZINC36678272

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 2.38 7.29 -42.56 2 2 1 40 203.309 5
Mid Mid (pH 6-8) 2.38 6.62 -7.88 1 2 0 36 202.301 5

Activity (Go SEA)

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