UCSF

ZINC44261292

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 19 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) 3.13 4.09 -37.09 0 4 -1 61 344.185 3
Lo Low (pH 4.5-6) 3.13 4 -7.09 1 4 0 59 345.193 3

Activity (Go SEA)

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