UCSF

ZINC53116612

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 2.41 5.87 -41.04 3 4 1 54 294.444 4
Mid Mid (pH 6-8) 2.41 5 -9.14 2 4 0 50 293.436 4

Activity (Go SEA)

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