UCSF

ZINC23303993

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 28 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) 4.14 11.63 -9.8 0 3 0 24 374.459 4
Mid Mid (pH 6-8) 4.14 13.39 -49.32 1 3 1 25 375.467 4

Activity (Go SEA)

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