UCSF

ZINC44894566

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 22 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) 0.93 3.49 -13.18 2 6 0 79 305.378 2
Hi High (pH 8-9.5) 1.11 0.84 -44.85 1 6 -1 85 304.37 2

Activity (Go SEA)

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