UCSF

ZINC37099383

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.45 6.76 -9.23 1 4 0 51 256.305 5
Lo Low (pH 4.5-6) 2.45 7.22 -43.66 2 4 1 52 257.313 5

Activity (Go SEA)

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