UCSF

ZINC42557573

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 18 No

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) 3.55 9.83 -9.14 1 3 0 34 261.394 4
Mid Mid (pH 6-8) 4.28 9.87 -47.81 0 3 -1 31 260.386 4

Activity (Go SEA)

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