UCSF

ZINC04906501

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 28 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) 2.80 8.64 -60.01 0 6 -1 79 380.42 8
Mid Mid (pH 6-8) 3.24 -0.6 -25.89 1 6 0 76 381.428 7
Mid Mid (pH 6-8) 2.21 -0.29 -20.57 0 6 0 72 381.428 8

Activity (Go SEA)

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