UCSF

ZINC36897670

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 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) 3.44 8.06 -8.93 0 3 0 27 287.19 6
Lo Low (pH 4.5-6) 3.44 8.5 -31.29 1 3 1 28 288.198 6

Activity (Go SEA)

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