UCSF

ZINC21794920

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 2.08 10.09 -36.07 3 2 1 30 281.423 5
Mid Mid (pH 6-8) 2.08 10.18 -133.13 4 2 2 32 282.431 5
Mid Mid (pH 6-8) 2.08 7.94 -46.26 3 2 1 31 281.423 5

Activity (Go SEA)

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