UCSF

ZINC35723738

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) 5.11 10.37 -14.21 2 6 0 84 487.423 8
Hi High (pH 8-9.5) 5.30 9.47 -53.04 1 6 -1 90 486.415 8

Activity (Go SEA)

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