UCSF

ZINC20138053

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 35 No

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) -2.63 7.71 -31.71 3 10 1 119 474.545 6
Mid Mid (pH 6-8) -2.63 9.98 -83.56 4 10 2 120 475.553 6
Lo Low (pH 4.5-6) -2.63 10.44 -151.42 5 10 3 121 476.561 6

Activity (Go SEA)

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