UCSF

ZINC12402834

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 35 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) 5.20 1.81 -12.68 0 8 0 111 476.529 7
Mid Mid (pH 6-8) 5.38 1.95 -12.34 0 8 0 111 476.529 7
Mid Mid (pH 6-8) 5.38 3.29 -19.17 0 8 0 111 476.529 7
Mid Mid (pH 6-8) 5.20 1.83 -14.45 0 8 0 111 476.529 7

Activity (Go SEA)

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