UCSF

ZINC44676076

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 16 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) 2.26 7.16 -116.86 4 2 2 33 220.36 6
Mid Mid (pH 6-8) 2.26 5.88 -36.56 3 2 1 29 219.352 6
Mid Mid (pH 6-8) 2.26 5.96 -38.99 3 2 1 29 219.352 6

Activity (Go SEA)

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