UCSF

ZINC31891118

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 2.92 7.66 -30.95 4 3 1 56 202.281 2
Hi High (pH 8-9.5) 2.92 7.16 -6.55 3 3 0 55 201.273 2
Hi High (pH 8-9.5) 2.92 7.2 -8.64 3 3 0 55 201.273 2

Activity (Go SEA)

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