UCSF

ZINC33819080

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 36 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) 6.38 13.71 -40.26 2 9 1 99 492.6 9
Mid Mid (pH 6-8) 6.38 12.62 -21.04 1 9 0 97 491.592 9
Mid Mid (pH 6-8) 6.38 14.38 -90.96 3 9 2 100 493.608 9

Activity (Go SEA)

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