UCSF

ZINC21657764

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 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) 4.68 7.19 -29.67 2 5 0 76 308.337 4
Hi High (pH 8-9.5) 4.42 7.19 -29.67 2 5 0 79 308.337 3
Hi High (pH 8-9.5) 4.42 6.78 -47.9 1 5 -1 78 307.329 3

Activity (Go SEA)

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