UCSF

ZINC21811955

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) 4.00 9.14 -28.36 2 2 1 16 281.489 7
Mid Mid (pH 6-8) 4.00 9.71 -101.69 3 2 2 21 282.497 7
Mid Mid (pH 6-8) 4.00 7.75 -32.84 2 2 1 20 281.489 7

Activity (Go SEA)

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