UCSF

ZINC42259601

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 21 Yes

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) 3.63 4.59 -51.07 2 4 0 65 364.268 4
Hi High (pH 8-9.5) 3.63 3.46 -47.97 1 4 -1 61 363.26 4
Mid Mid (pH 6-8) 3.18 6.1 -12.64 2 4 0 58 364.268 4
Mid Mid (pH 6-8) 3.18 7.21 -60.24 3 4 1 62 365.276 4

Activity (Go SEA)

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