UCSF

ZINC09424663

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 36 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) 3.58 9.98 -47.95 2 8 1 90 495.596 11
Mid Mid (pH 6-8) 3.00 0.01 -56.96 1 8 1 86 495.596 11

Activity (Go SEA)

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