UCSF

ZINC09353774

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 30 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) 3.25 9.1 -50.99 0 8 -1 115 429.836 8
Mid Mid (pH 6-8) 2.66 0.03 -14.86 0 8 0 109 430.844 8
Mid Mid (pH 6-8) 3.69 8.27 -20.09 1 8 0 113 430.844 7

Activity (Go SEA)

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