UCSF

ZINC34592612

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 27 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) 2.03 1.17 -52.33 5 7 1 115 395.501 9
Hi High (pH 8-9.5) 2.03 -0.03 -15.36 4 7 0 111 394.493 9

Activity (Go SEA)

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