UCSF

ZINC20873747

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 26 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) 5.52 11.6 -6.18 1 2 0 21 349.449 8
Mid Mid (pH 6-8) 5.52 13.03 -47.55 2 2 1 26 350.457 8

Activity (Go SEA)

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