UCSF

ZINC08673170

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2007 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) 1.57 6.94 -19.18 1 5 0 68 307.305 2
Hi High (pH 8-9.5) 2.87 5.51 -48.2 0 5 -1 71 306.297 2

Activity (Go SEA)

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