UCSF

ZINC42969205

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 23 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) 3.47 6.75 -37.35 3 3 1 40 319.513 8
Lo Low (pH 4.5-6) 3.47 8.99 -106.64 4 3 2 41 320.521 8

Activity (Go SEA)

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