UCSF

ZINC34560537

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 33 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) 5.82 15.25 -46.38 2 9 1 105 464.631 17
Mid Mid (pH 6-8) 5.82 13.04 -10.27 1 9 0 104 463.623 17

Activity (Go SEA)

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