UCSF

ZINC09507990

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 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) 4.44 11.52 -63.69 0 6 -1 79 456.518 9
Mid Mid (pH 6-8) 4.88 10.19 -26.52 1 6 0 76 457.526 8
Mid Mid (pH 6-8) 3.86 11.19 -20.67 0 6 0 73 457.526 9

Activity (Go SEA)

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