UCSF

ZINC08817269

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 33 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) 2.64 7.85 -54.43 0 9 -1 119 450.471 7
Mid Mid (pH 6-8) 2.05 -0.04 -58.35 1 9 1 113 452.487 7
Mid Mid (pH 6-8) 2.64 10.2 -70.26 1 9 0 120 451.479 7

Activity (Go SEA)

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