UCSF

ZINC43460995

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) 3.99 4.52 -36.73 1 4 -1 60 323.557 1
Mid Mid (pH 6-8) 3.99 5.3 -108.57 0 4 -2 63 322.549 1
Mid Mid (pH 6-8) 3.99 5.82 -34.74 1 4 -1 65 323.557 1
Lo Low (pH 4.5-6) 3.99 5.01 -7.48 2 4 0 62 324.565 1

Activity (Go SEA)

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