UCSF

ZINC44887327

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 19 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) -1.26 -2.76 -42.29 3 10 -1 143 285.313 5
Lo Low (pH 4.5-6) -1.26 -2.77 -14 4 10 0 144 286.321 5

Activity (Go SEA)

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