UCSF

ZINC29128073

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 21 No

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) 3.65 5.67 -7.31 1 4 0 60 302.713 2
Mid Mid (pH 6-8) 3.65 6.22 -50.21 0 4 -1 63 301.705 2

Activity (Go SEA)

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