UCSF

ZINC19848218

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 31 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) 4.36 13.74 -70.21 1 5 0 65 420.553 8
Hi High (pH 8-9.5) 4.36 11.51 -60.85 0 5 -1 64 419.545 8

Activity (Go SEA)

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