UCSF

ZINC08926685

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 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) 2.69 7 -56.64 0 7 -1 88 430.864 8
Mid Mid (pH 6-8) 3.13 6.2 -31.9 1 7 0 85 431.872 7
Mid Mid (pH 6-8) 2.10 7.22 -22.75 0 7 0 82 431.872 8

Activity (Go SEA)

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