UCSF

ZINC32109033

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) 2.44 4.37 -54.91 4 4 1 66 257.313 4
Hi High (pH 8-9.5) 2.44 3.99 -13.25 3 4 0 64 256.305 4

Activity (Go SEA)

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