UCSF

ZINC21788504

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 4.87 10.77 -127.01 3 2 2 21 341.337 5
Mid Mid (pH 6-8) 4.87 8.67 -40.17 2 2 1 20 340.329 5
Mid Mid (pH 6-8) 4.87 9.38 -33.17 2 2 1 16 340.329 5

Activity (Go SEA)

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