UCSF

ZINC20987176

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 26 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) 3.07 9.52 -17.49 1 5 0 60 384.482 5
Hi High (pH 8-9.5) 3.14 8.88 -59.31 0 5 -1 67 383.474 5

Activity (Go SEA)

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