UCSF

ZINC19714795

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 27 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 5.21 -9 1 7 0 71 375.517 6
Mid Mid (pH 6-8) 2.26 7.48 -49.47 2 7 1 72 376.525 6

Activity (Go SEA)

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