UCSF

ZINC39849441

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 30 No

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) 2.36 10.83 -75.43 1 7 0 91 412.486 10
Mid Mid (pH 6-8) 2.36 9.94 -47.27 2 7 1 88 413.494 10

Activity (Go SEA)

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