UCSF

ZINC21801870

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 0.71 -3.31 -21.29 6 7 0 136 307.331 4
Hi High (pH 8-9.5) 0.71 -2.86 -51.35 5 7 -1 138 306.323 4
Hi High (pH 8-9.5) 0.71 -3.24 -49.99 5 7 -1 138 306.323 4

Activity (Go SEA)

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