UCSF

ZINC36981684

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 3.61 5.36 -47.52 1 6 -1 102 366.227 4
Mid Mid (pH 6-8) 2.68 5.05 -114.7 0 6 -2 101 365.219 5

Activity (Go SEA)

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