UCSF

ZINC09272702

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 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) 2.34 6.34 -56.98 1 7 -1 99 430.864 8
Mid Mid (pH 6-8) 2.79 4.52 -30.71 2 7 0 96 431.872 7
Mid Mid (pH 6-8) 1.76 -2.31 -23.4 1 7 0 93 431.872 8

Activity (Go SEA)

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