UCSF

ZINC34682686

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 4.82 12.74 -40.62 1 4 1 34 407.559 6
Hi High (pH 8-9.5) 4.82 10.5 -11.16 0 4 0 33 406.551 6

Activity (Go SEA)

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