UCSF

ZINC36170507

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 1.90 1.59 -7.57 2 5 0 67 317.842 3
Mid Mid (pH 6-8) 1.90 3.96 -41.74 3 5 1 68 318.85 3

Activity (Go SEA)

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