UCSF

ZINC08903760

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 34 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) 4.57 11.72 -58.97 0 8 -1 113 479.534 8
Mid Mid (pH 6-8) 3.98 12.95 -13.67 0 8 0 107 480.542 8
Mid Mid (pH 6-8) 5.01 11.68 -24.87 1 8 0 110 480.542 7

Activity (Go SEA)

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