UCSF

ZINC09373690

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 35 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) 1.97 5.5 -60.9 0 9 -1 116 499.565 8
Mid Mid (pH 6-8) 2.42 -5.07 -27.59 1 9 0 113 500.573 7
Mid Mid (pH 6-8) 1.39 -5.6 -16.88 0 9 0 110 500.573 8

Activity (Go SEA)

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