UCSF

ZINC58246607

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 15 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) 1.72 5.8 -40.48 2 3 1 34 213.345 4
Hi High (pH 8-9.5) 1.72 3.84 -6.86 1 3 0 32 212.337 4
Hi High (pH 8-9.5) 1.90 1.1 -5.09 1 3 0 36 212.337 4

Activity (Go SEA)

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