UCSF

ZINC12402800

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 30 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) 3.81 0.55 -9.93 0 6 0 82 443.546 6
Mid Mid (pH 6-8) 3.99 0.62 -10.09 0 6 0 82 443.546 6
Mid Mid (pH 6-8) 3.99 1.88 -11.96 0 6 0 82 443.546 6
Mid Mid (pH 6-8) 3.81 0.67 -11.3 0 6 0 82 443.546 6

Activity (Go SEA)

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