UCSF

ZINC36477932

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 23 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) 3.19 6.74 -46.32 4 3 1 61 333.521 4
Mid Mid (pH 6-8) 3.19 6.41 -6.08 3 3 0 59 332.513 4

Activity (Go SEA)

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