UCSF

ZINC34557114

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 35 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) 6.83 16.81 -46.43 2 9 1 105 492.685 19
Mid Mid (pH 6-8) 6.83 14.6 -10.24 1 9 0 104 491.677 19

Activity (Go SEA)

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