UCSF

ZINC53155402

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 16 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) 3.56 6.58 -5.47 1 1 0 12 255.745 4
Mid Mid (pH 6-8) 3.56 7.93 -50.72 2 1 1 17 256.753 4

Activity (Go SEA)

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