UCSF

ZINC35636069

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 25 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) -3.76 -4.62 -261.56 3 14 -3 226 401.137 6
Mid Mid (pH 6-8) -3.76 -5.78 -142.15 4 14 -2 224 402.145 6

Activity (Go SEA)

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