UCSF

ZINC23367922

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 30 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) 0.15 0.82 -50.84 5 9 1 118 438.574 9
Hi High (pH 8-9.5) 0.15 -1.42 -22.8 4 9 0 117 437.566 9
Lo Low (pH 4.5-6) 0.15 0.9 -47.41 5 9 1 118 438.574 9

Activity (Go SEA)

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