UCSF

ZINC42411613

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 15 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) 2.70 6.73 -40.71 2 2 1 26 269.162 5
Hi High (pH 8-9.5) 2.70 5.26 -4.84 1 2 0 21 268.154 5

Activity (Go SEA)

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