UCSF

ZINC37172083

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) 2.57 2.87 -55.49 3 4 1 65 277.435 7
Hi High (pH 8-9.5) 2.57 2.48 -9.18 2 4 0 63 276.427 7

Activity (Go SEA)

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