UCSF

ZINC43262544

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 1.40 0.98 -52.57 5 4 1 74 347.302 4
Hi High (pH 8-9.5) 1.40 0.29 -8.7 4 4 0 72 346.294 4
Mid Mid (pH 6-8) 1.40 2.49 -37.34 5 4 1 74 347.302 4

Activity (Go SEA)

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