UCSF

ZINC19646289

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 26 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) 6.70 11.41 -14.43 1 3 0 46 384.57 4
Hi High (pH 8-9.5) 7.15 10.05 -49.16 0 3 -1 49 383.562 4

Activity (Go SEA)

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