UCSF

ZINC01413317

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 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) 4.44 11.05 -16.24 1 6 0 76 475.516 8
Mid Mid (pH 6-8) 3.86 11.72 -24.7 0 6 0 73 475.516 8

Activity (Go SEA)

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