UCSF

ZINC41197732

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 2.86 6.04 -32.83 2 3 1 33 306.499 3
Hi High (pH 8-9.5) 2.86 7.84 -32.86 2 3 1 29 306.499 3
Mid Mid (pH 6-8) 2.86 8.98 -97.87 3 3 2 34 307.507 3

Activity (Go SEA)

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