UCSF

ZINC36192996

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.54 3.57 -46.22 4 6 1 79 252.342 2
Lo Low (pH 4.5-6) -0.54 3.7 -86.61 5 6 2 81 253.35 2

Activity (Go SEA)

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