UCSF

ZINC34525468

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 29 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) 5.42 11.51 -44.93 3 4 1 51 399.53 10
Hi High (pH 8-9.5) 5.42 10.3 -7.31 2 4 0 46 398.522 10

Activity (Go SEA)

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