UCSF

ZINC08845235

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 31 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) 2.90 8.51 -16.49 1 7 0 93 419.433 5
Mid Mid (pH 6-8) 2.32 9.23 -21.71 0 7 0 90 419.433 5

Activity (Go SEA)

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