UCSF

ZINC19865231

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 16 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) -0.27 1.93 -57.27 4 5 1 79 243.356 4
Hi High (pH 8-9.5) -0.27 1.55 -12.11 3 5 0 77 242.348 4

Activity (Go SEA)

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