UCSF

ZINC35526986

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 28 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) 1.90 3.08 -57.58 1 8 -1 109 404.468 8
Lo Low (pH 4.5-6) 1.90 2.97 -19.19 2 8 0 107 405.476 8

Activity (Go SEA)

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