UCSF

ZINC35527404

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 29 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) 1.86 6.77 -14.78 1 8 0 76 394.479 6
Mid Mid (pH 6-8) 1.86 9.04 -50.42 2 8 1 77 395.487 6

Activity (Go SEA)

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