UCSF

ZINC09370684

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 28 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) 4.49 11.01 -51.79 0 5 -1 73 430.292 4
Mid Mid (pH 6-8) 3.90 -1.02 -20.36 0 5 0 67 431.3 4
Mid Mid (pH 6-8) 4.93 -1.25 -31.18 1 5 0 71 431.3 3

Activity (Go SEA)

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