UCSF

ZINC42439031

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.81 3.02 -46.54 4 5 1 80 268.381 4
Hi High (pH 8-9.5) 0.81 1.47 -12.81 3 5 0 75 267.373 4

Activity (Go SEA)

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