UCSF

ZINC36721476

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 14 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) 1.45 2.33 -8.25 1 4 0 49 285.207 4
Hi High (pH 8-9.5) 1.45 1.97 -37.63 0 4 -1 51 284.199 4

Activity (Go SEA)

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