UCSF

ZINC36489942

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 32 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) -0.69 -1.73 -55.18 6 10 -1 184 443.432 2
Hi High (pH 8-9.5) -0.69 -0.73 -108.68 5 10 -2 187 442.424 2
Mid Mid (pH 6-8) -0.69 -0.16 -56.04 7 10 0 186 444.44 2

Activity (Go SEA)

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