UCSF

ZINC36300432

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 17 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) 0.70 1.81 -38.41 3 4 1 46 254.276 5
Hi High (pH 8-9.5) 0.70 0.93 -44.65 3 4 1 49 254.276 5
Mid Mid (pH 6-8) 0.70 3.15 -107.72 4 4 2 50 255.284 5

Activity (Go SEA)

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