UCSF

ZINC35724742

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 30 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) 4.47 9.49 -23.3 2 7 0 87 490.358 4
Hi High (pH 8-9.5) 4.65 7.55 -55.25 1 7 -1 94 489.35 4

Activity (Go SEA)

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