UCSF

ZINC34367713

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.89 11.9 -39.86 0 5 -1 80 438.532 5
Mid Mid (pH 6-8) 4.70 13.31 -9.94 1 5 0 73 439.54 5

Activity (Go SEA)

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