UCSF

ZINC35656127

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) 2.80 7.18 -19.13 1 6 0 85 418.521 5
Mid Mid (pH 6-8) 2.80 8.11 -61.53 0 6 -1 87 417.513 5

Activity (Go SEA)

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