UCSF

ZINC37049615

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 0.92 2.48 -49.24 4 5 1 63 297.467 8
Lo Low (pH 4.5-6) 0.92 3.84 -116.14 5 5 2 64 298.475 8

Activity (Go SEA)

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