UCSF

ZINC37338556

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 2.23 5.86 -6.43 0 3 0 30 267.394 4
Lo Low (pH 4.5-6) 2.23 8.07 -37.74 1 3 1 31 268.402 4

Activity (Go SEA)

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