UCSF

ZINC34882759

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 37 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) 5.16 11.63 -25.95 1 8 0 94 516.623 10
Hi High (pH 8-9.5) 5.35 10.42 -66.56 0 8 -1 100 515.615 10

Activity (Go SEA)

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