UCSF

ZINC04382637

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 32 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) 7.09 15.69 -15.39 1 5 0 56 435.612 9
Mid Mid (pH 6-8) 7.09 16.01 -26.93 2 5 1 57 436.62 9

Activity (Go SEA)

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