UCSF

ZINC08922631

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 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) 5.45 12.26 -56.96 0 5 -1 73 463.897 4
Mid Mid (pH 6-8) 5.90 12 -14.59 1 5 0 71 464.905 3

Activity (Go SEA)

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