UCSF

ZINC06301705

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 21 No

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) 4.12 8.68 -9.63 1 3 0 32 280.371 4
Lo Low (pH 4.5-6) 4.12 9.46 -64.23 2 3 0 34 281.379 4

Activity (Go SEA)

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