UCSF

ZINC19830697

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 22 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) -0.38 4.75 -15.2 0 6 0 61 301.346 2
Lo Low (pH 4.5-6) -0.38 6.92 -56.46 1 6 1 62 302.354 2

Activity (Go SEA)

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