UCSF

ZINC44934855

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 18 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) -0.32 -2.03 -41.42 2 8 -1 111 267.294 5
Lo Low (pH 4.5-6) -0.32 -1.89 -16.74 3 8 0 113 268.302 5

Activity (Go SEA)

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