UCSF

ZINC20523569

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 13 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) 3.20 5.58 -2.92 1 2 0 25 198.697 3
Lo Low (pH 4.5-6) 3.20 6.05 -30.63 2 2 1 26 199.705 3

Activity (Go SEA)

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