UCSF

ZINC12402822

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 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) 3.98 0.61 -55 0 10 -1 143 493.492 7
Mid Mid (pH 6-8) 4.16 0.68 -55.48 0 10 -1 143 493.492 7
Mid Mid (pH 6-8) 4.16 1.93 -58.31 0 10 -1 143 493.492 7
Mid Mid (pH 6-8) 3.98 0.72 -56.32 0 10 -1 143 493.492 7

Activity (Go SEA)

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