UCSF

ZINC11687820

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2008 28 Yes

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) 4.11 8.82 -11.94 2 6 0 83 382.508 8
Mid Mid (pH 6-8) 4.11 9.21 -33.54 3 6 1 85 383.516 8

Activity (Go SEA)

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