UCSF

ZINC42713450

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) -0.17 2.51 -19.98 2 8 0 112 283.284 7
Hi High (pH 8-9.5) 0.29 0.65 -49.06 1 8 -1 115 282.276 7

Activity (Go SEA)

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