UCSF

ZINC32012401

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 0.34 -0.46 -52.17 5 4 1 69 211.285 6
Hi High (pH 8-9.5) 0.34 -0.85 -6.58 4 4 0 68 210.277 6

Activity (Go SEA)

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