UCSF

ZINC19865289

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 14 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) -1.24 -0.82 -59.19 4 6 1 91 216.29 5
Hi High (pH 8-9.5) -1.24 -1.2 -10.53 3 6 0 90 215.282 5

Activity (Go SEA)

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