UCSF

ZINC34536742

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 27 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) 2.75 9.95 -17.17 2 5 0 73 400.887 5
Mid Mid (pH 6-8) 2.75 10.21 -57.97 3 5 1 74 401.895 5

Activity (Go SEA)

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