UCSF

ZINC36869731

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 No

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) 1.76 2.47 -60.44 3 4 1 65 311.471 5
Mid Mid (pH 6-8) 1.76 4.74 -150.41 4 4 2 66 312.479 5

Activity (Go SEA)

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