UCSF

ZINC21811810

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) -0.60 -3.06 -15.03 4 8 0 110 301.372 6
Mid Mid (pH 6-8) -0.60 -0.73 -50.28 5 8 1 111 302.38 6

Activity (Go SEA)

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