UCSF

ZINC09160885

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 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) 2.62 9.9 -66.03 0 8 -1 103 457.462 4
Mid Mid (pH 6-8) 3.07 8.67 -22.06 1 8 0 100 458.47 3
Mid Mid (pH 6-8) 2.04 0.01 -16.06 0 8 0 97 458.47 4

Activity (Go SEA)

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