UCSF

ZINC36890578

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 2.65 4.81 -55.06 2 5 -1 82 272.28 5
Lo Low (pH 4.5-6) 2.65 2.83 -10.56 3 5 0 79 273.288 5

Activity (Go SEA)

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