UCSF

ZINC09065102

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 37 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) 4.76 10.93 -56.45 0 7 -1 82 526.053 10
Mid Mid (pH 6-8) 4.76 13.26 -70.86 1 7 0 83 527.061 10

Activity (Go SEA)

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