UCSF

ZINC37041377

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 2.58 2.19 -14.55 4 5 0 85 306.749 6
Hi High (pH 8-9.5) 2.58 2.95 -44.89 3 5 -1 87 305.741 6

Activity (Go SEA)

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