UCSF

ZINC55327703

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 24 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) 3.86 9.86 -38.73 1 3 1 17 329.508 6
Hi High (pH 8-9.5) 3.86 7.35 -3.5 0 3 0 16 328.5 6
Mid Mid (pH 6-8) 3.86 9.43 -34.67 1 3 1 17 329.508 6

Activity (Go SEA)

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