UCSF

ZINC44684780

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 3.92 8.91 -34.98 2 3 1 30 350.28 4
Lo Low (pH 4.5-6) 3.92 7.56 -40.59 2 3 1 33 350.28 4
Lo Low (pH 4.5-6) 3.92 9.95 -114.25 3 3 2 34 351.288 4

Activity (Go SEA)

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