UCSF

ZINC44648820

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) 2.87 6.24 -41.01 3 3 1 46 251.394 5
Hi High (pH 8-9.5) 2.87 4.88 -7.38 2 3 0 41 250.386 5

Activity (Go SEA)

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