UCSF

ZINC37257418

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 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) 3.25 6.74 -4.3 2 2 0 32 334.257 6
Lo Low (pH 4.5-6) 3.25 7.98 -43.55 3 2 1 37 335.265 6

Activity (Go SEA)

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