UCSF

ZINC44919491

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 24 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) 0.31 5.09 -59 1 7 -1 98 327.364 5
Mid Mid (pH 6-8) -0.15 5.3 -18.84 2 7 0 95 328.372 5

Activity (Go SEA)

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