UCSF

ZINC45769948

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 15 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) 2.67 7.21 -36.61 1 3 1 30 211.329 5
Hi High (pH 8-9.5) 2.67 4.91 -6.35 0 3 0 29 210.321 5

Activity (Go SEA)

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