UCSF

ZINC34462997

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 31 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) 3.34 8.01 -50.14 2 7 1 82 455.572 12
Hi High (pH 8-9.5) 3.34 6.75 -16.17 1 7 0 77 454.564 12

Activity (Go SEA)

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