UCSF

ZINC36615322

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 24 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) 1.20 5.52 -17.5 0 7 0 73 353.492 7
Lo Low (pH 4.5-6) 1.20 5.61 -38.9 1 7 1 74 354.5 7

Activity (Go SEA)

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