UCSF

ZINC44683825

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 2.11 6.32 -39.36 2 3 1 23 260.405 5
Hi High (pH 8-9.5) 2.11 7.51 -31.82 2 3 1 20 260.405 5
Lo Low (pH 4.5-6) 2.11 8.72 -109.76 3 3 2 24 261.413 5

Activity (Go SEA)

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