UCSF

ZINC19537679

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 24 No

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) 4.17 9.84 -15.2 1 4 0 63 315.328 2
Hi High (pH 8-9.5) 4.17 10.7 -53.19 0 4 -1 66 314.32 2

Activity (Go SEA)

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