UCSF

ZINC08741083

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 32 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) 5.46 11.71 -55.02 0 6 -1 86 463.922 5
Mid Mid (pH 6-8) 5.90 11.9 -19.03 1 6 0 84 464.93 4

Activity (Go SEA)

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