UCSF

ZINC34681057

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 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) 3.99 11.83 -17.13 1 6 0 66 515.358 4
Lo Low (pH 4.5-6) 3.99 12.15 -50.46 2 6 1 67 516.366 4

Activity (Go SEA)

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