UCSF

ZINC32009371

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) -0.74 0.18 -41.26 3 4 1 59 197.258 6
Hi High (pH 8-9.5) -0.74 -1.33 -6.57 2 4 0 54 196.25 6

Activity (Go SEA)

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