UCSF

ZINC20001062

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 25 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) 2.89 5.99 -12.26 1 5 0 52 334.423 4
Mid Mid (pH 6-8) 2.89 6.14 -24.2 2 5 1 54 335.431 4
Lo Low (pH 4.5-6) 2.89 8.43 -86.74 3 5 2 55 336.439 4

Activity (Go SEA)

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