UCSF

ZINC35633791

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 21 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) 2.99 6.89 -48.49 2 4 1 54 311.471 8
Hi High (pH 8-9.5) 2.99 5.78 -7.44 1 4 0 49 310.463 8

Activity (Go SEA)

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