UCSF

ZINC20434081

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 18 Yes

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) 0.13 -0.31 -44.83 4 5 1 75 251.306 4
Hi High (pH 8-9.5) 0.13 -1.67 -11.08 3 5 0 71 250.298 4

Activity (Go SEA)

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