UCSF

ZINC44463732

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 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) 1.22 1.74 -41.27 4 2 1 48 220.214 4
Hi High (pH 8-9.5) 1.22 1.43 -5.18 3 2 0 46 219.206 4

Activity (Go SEA)

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