UCSF

ZINC19977542

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 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) -0.03 1.49 -54.42 4 6 1 78 291.375 4
Mid Mid (pH 6-8) -0.03 2.26 -45.23 4 6 1 75 291.375 4
Lo Low (pH 4.5-6) -0.03 3.65 -129.25 5 6 2 79 292.383 4

Activity (Go SEA)

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