UCSF

ZINC09462596

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 37 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) 6.12 15.44 -58.73 0 6 -1 83 509.607 8
Mid Mid (pH 6-8) 6.57 13.56 -32.85 1 6 0 80 510.615 7
Mid Mid (pH 6-8) 5.54 14.57 -22.54 0 6 0 77 510.615 8

Activity (Go SEA)

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