UCSF

ZINC49551850

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) 0.70 4.13 -21.06 2 6 0 92 311.341 3
Hi High (pH 8-9.5) 1.16 3.46 -57.47 1 6 -1 95 310.333 3
Lo Low (pH 4.5-6) 0.70 4.54 -41.79 3 6 1 93 312.349 3

Activity (Go SEA)

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