UCSF

ZINC23816954

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 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) 3.13 6.45 -9.1 0 4 0 41 348.443 4
Lo Low (pH 4.5-6) 3.13 8.65 -46.91 1 4 1 42 349.451 4

Activity (Go SEA)

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