UCSF

ZINC44518817

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 2.03 6.92 -78.58 3 3 2 24 255.45 4
Hi High (pH 8-9.5) 2.03 7.63 -90.11 3 3 2 21 255.45 4
Lo Low (pH 4.5-6) 2.03 8.8 -171.87 4 3 3 25 256.458 4

Activity (Go SEA)

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