UCSF

ZINC57731753

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 32 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) 5.36 14.34 -43.24 2 4 1 41 428.6 3
Hi High (pH 8-9.5) 5.36 12.13 -8.98 1 4 0 39 427.592 3

Activity (Go SEA)

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