UCSF

ZINC35021556

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 2.91 7.68 -42.86 1 3 1 31 256.753 6
Hi High (pH 8-9.5) 2.91 5.62 -9.67 0 3 0 30 255.745 6

Activity (Go SEA)

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