UCSF

ZINC32015192

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 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) -0.40 -1.62 -58.04 5 5 1 78 227.284 6
Hi High (pH 8-9.5) -0.40 -2.2 -9.13 4 5 0 77 226.276 6

Activity (Go SEA)

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