UCSF

ZINC21987935

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 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) 1.71 6.55 -33.89 1 5 1 43 311.409 3
Hi High (pH 8-9.5) 1.71 6.14 -6.7 0 5 0 41 310.401 3
Lo Low (pH 4.5-6) 1.71 8.92 -112.06 2 5 2 44 312.417 3

Activity (Go SEA)

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