UCSF

ZINC06472058

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 40 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) 7.08 15.59 -12.2 1 7 0 80 559.732 13
Mid Mid (pH 6-8) 7.08 14.88 -12.45 1 7 0 80 559.732 13

Activity (Go SEA)

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