UCSF

ZINC44887203

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 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) -0.86 -2.13 -50.2 3 9 -1 149 292.304 4
Lo Low (pH 4.5-6) -0.86 -1.92 -21.49 4 9 0 150 293.312 4

Activity (Go SEA)

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