UCSF

ZINC39914472

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 36 Yes

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) 6.38 11.54 -12.36 2 7 0 88 510.034 11
Mid Mid (pH 6-8) 6.38 12.32 -49.79 1 7 -1 91 509.026 11

Activity (Go SEA)

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