UCSF

ZINC53156813

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) 2.24 3.89 -10.59 2 3 0 41 256.708 5
Lo Low (pH 4.5-6) 2.24 5.24 -54.5 3 3 1 46 257.716 5

Activity (Go SEA)

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