UCSF

ZINC52291409

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 13 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) -0.26 -0.22 -5.32 3 6 0 91 182.183 2
Hi High (pH 8-9.5) 0.20 -1.88 -35.8 2 6 -1 94 181.175 2

Activity (Go SEA)

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