UCSF

ZINC27866834

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 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) 3.47 5.92 -6.84 1 3 0 41 305.164 1
Lo Low (pH 4.5-6) 3.47 6.74 -33.92 2 3 1 43 306.172 1

Activity (Go SEA)

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