UCSF

ZINC09216196

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 32 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) 5.42 9.57 -14.08 1 7 0 87 491.038 5
Ref Reference (pH 7) 4.50 9.36 -15.6 1 7 0 84 491.038 6

Activity (Go SEA)

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