UCSF

ZINC12559448

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 18 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) 2.31 6.62 -38.29 1 3 1 21 260.283 3
Mid Mid (pH 6-8) 2.31 4.26 -3.93 0 3 0 19 259.275 3

Activity (Go SEA)

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