UCSF

ZINC12563530

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 26 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) 3.74 10.4 -25.32 1 5 0 64 365.458 7
Lo Low (pH 4.5-6) 3.74 10.78 -36.66 2 5 1 65 366.466 7

Activity (Go SEA)

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