UCSF

ZINC36875095

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 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) 1.47 1.59 -44.17 3 3 1 40 215.361 5
Lo Low (pH 4.5-6) 1.47 4.17 -119.91 4 3 2 41 216.369 5

Activity (Go SEA)

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