UCSF

ZINC31946438

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 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) 0.08 4.26 -18.8 1 7 0 79 331.372 3
Mid Mid (pH 6-8) 0.08 5.63 -59.23 2 7 1 84 332.38 3

Activity (Go SEA)

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