UCSF

ZINC20676567

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 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) 3.62 9.32 -13.65 1 5 0 50 362.477 6
Mid Mid (pH 6-8) 3.62 9.73 -35.05 2 5 1 51 363.485 6

Activity (Go SEA)

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