UCSF

ZINC20461241

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 33 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) 3.15 9.08 -43.3 1 8 1 68 469.635 3
Mid Mid (pH 6-8) 3.15 6.7 -7.8 0 8 0 67 468.627 3

Activity (Go SEA)

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