UCSF

ZINC06136487

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2006 35 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) 5.80 12.1 -17.31 1 6 0 84 481.577 8
Lo Low (pH 4.5-6) 5.80 12.26 -45.96 2 6 1 85 482.585 8

Activity (Go SEA)

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