UCSF

ZINC06614158

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 21 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) 2.61 6.61 -8.3 1 4 0 55 280.327 3
Lo Low (pH 4.5-6) 2.61 6.88 -39.17 2 4 1 56 281.335 3

Activity (Go SEA)

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