UCSF

ZINC36992723

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 3.75 9.36 -34.46 2 2 1 26 290.452 7
Mid Mid (pH 6-8) 3.75 8.49 -4.67 1 2 0 21 289.444 7

Activity (Go SEA)

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