UCSF

ZINC67788555

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 24 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) 1.79 6.33 -41.85 2 4 1 31 348.536 2
Lo Low (pH 4.5-6) 1.79 8.29 -105.16 3 4 2 32 349.544 2
Lo Low (pH 4.5-6) 1.79 7.22 -109.1 3 4 2 32 349.544 2

Activity (Go SEA)

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