UCSF

ZINC36891288

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 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) 4.61 8.88 -6.82 0 2 0 18 271.191 4
Lo Low (pH 4.5-6) 4.61 9.32 -27.32 1 2 1 19 272.199 4

Activity (Go SEA)

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