UCSF

ZINC08918959

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 34 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) 4.70 10.21 -58.6 0 7 -1 92 471.514 6
Mid Mid (pH 6-8) 5.14 9.61 -18.46 1 7 0 89 472.522 5

Activity (Go SEA)

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