UCSF

ZINC35101820

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 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) -0.21 -0.42 -46.85 4 6 1 84 253.278 5
Hi High (pH 8-9.5) -0.21 -1.84 -13.15 3 6 0 80 252.27 5

Activity (Go SEA)

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