UCSF

ZINC08974948

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 30 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) 3.15 9.95 -50.38 2 8 1 80 444.972 6
Mid Mid (pH 6-8) 3.15 7.59 -14.86 1 8 0 79 443.964 6

Activity (Go SEA)

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