UCSF

ZINC10188112

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2007 32 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) 2.07 0.88 -15.86 0 8 0 84 438.459 5
Lo Low (pH 4.5-6) 2.07 1.08 -58.61 1 8 1 85 439.467 5

Activity (Go SEA)

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