UCSF

ZINC36731790

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 15 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) 0.61 3.27 -109.25 5 4 2 61 217.357 8
Hi High (pH 8-9.5) 0.61 1.22 -49.16 4 4 1 60 216.349 8
Mid Mid (pH 6-8) 0.61 2.89 -35.01 4 4 1 60 216.349 8

Activity (Go SEA)

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