UCSF

ZINC49122994

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 19 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) 3.03 2.84 -55.76 4 4 1 74 303.473 5
Hi High (pH 8-9.5) 3.03 2.45 -8.22 3 4 0 72 302.465 5

Activity (Go SEA)

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