UCSF

ZINC15470090

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 30 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) 2.75 12.11 -63.68 2 6 1 71 406.506 4
Mid Mid (pH 6-8) 2.75 9.53 -16.07 1 6 0 70 405.498 4
Mid Mid (pH 6-8) 2.75 9.49 -15.68 1 6 0 70 405.498 4

Activity (Go SEA)

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