UCSF

ZINC60700223

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 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) 4.37 10.6 -46.4 3 1 1 28 276.403 4
Hi High (pH 8-9.5) 4.37 10.29 -5.08 2 1 0 26 275.395 4

Activity (Go SEA)

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