UCSF

ZINC04267907

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 29 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) 5.21 15.23 -30.49 2 4 1 42 383.519 6
Lo Low (pH 4.5-6) 5.21 15.26 -84.06 3 4 2 43 384.527 6

Activity (Go SEA)

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