UCSF

ZINC42581823

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) 3.40 8.27 -116.54 4 2 2 32 254.462 6
Hi High (pH 8-9.5) 3.40 6.57 -38.65 3 2 1 31 253.454 6
Hi High (pH 8-9.5) 3.40 8.02 -28.64 3 2 1 30 253.454 6

Activity (Go SEA)

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