UCSF

ZINC01356314

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 26 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) 4.01 9.53 -14.9 3 5 0 81 386.546 4
Lo Low (pH 4.5-6) 4.01 9.84 -28.47 4 5 1 82 387.554 4
Lo Low (pH 4.5-6) 4.01 6.26 -30.96 4 5 1 82 387.554 4

Activity (Go SEA)

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