UCSF

ZINC20918276

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 23 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) 3.19 9.91 -50.97 1 4 1 34 317.453 4
Hi High (pH 8-9.5) 3.19 7.95 -10.16 0 4 0 33 316.445 4

Activity (Go SEA)

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