UCSF

ZINC37173973

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 2.25 2.42 -56.05 3 4 1 65 277.435 6
Hi High (pH 8-9.5) 2.25 2.03 -9.06 2 4 0 63 276.427 6

Activity (Go SEA)

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