UCSF

ZINC36864524

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.52 6.78 -51.83 3 3 1 45 284.305 5
Mid Mid (pH 6-8) 2.52 5.41 -8.16 2 3 0 41 283.297 5

Activity (Go SEA)

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