UCSF

ZINC32109112

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.83 7.45 -41.49 2 3 1 39 257.357 6
Hi High (pH 8-9.5) 2.83 6.04 -6.59 1 3 0 34 256.349 6

Activity (Go SEA)

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