UCSF

ZINC20649929

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 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) 2.82 6.42 -49.68 3 8 1 93 478.569 7
Mid Mid (pH 6-8) 2.82 7.04 -29.24 2 8 0 95 477.561 7
Mid Mid (pH 6-8) 2.82 4.08 -15.2 2 8 0 91 477.561 7
Mid Mid (pH 6-8) 2.82 4.71 -49.36 1 8 -1 94 476.553 7

Activity (Go SEA)

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