UCSF

ZINC19269813

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 17 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) 2.65 5.21 -39.51 2 3 1 33 233.335 5
Hi High (pH 8-9.5) 2.65 3.93 -5.36 1 3 0 28 232.327 5
Mid Mid (pH 6-8) 2.65 7.74 -114.89 3 3 2 34 234.343 5
Mid Mid (pH 6-8) 2.65 6.45 -39.09 2 3 1 30 233.335 5

Activity (Go SEA)

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