UCSF

ZINC20295355

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 28 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) 1.08 4 -48.22 2 8 1 76 391.492 6
Hi High (pH 8-9.5) 1.08 2.43 -15.55 1 8 0 74 390.484 6

Activity (Go SEA)

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