UCSF

ZINC36678286

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 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) 2.35 8.08 -15.41 2 3 0 44 261.394 4
Mid Mid (pH 6-8) 2.35 8.56 -36.8 3 3 1 45 262.402 4

Activity (Go SEA)

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