UCSF

ZINC36778475

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 0.01 6.32 -43.33 0 6 -1 86 270.268 4
Lo Low (pH 4.5-6) 0.01 6.86 -57.99 1 6 0 87 271.276 4

Activity (Go SEA)

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