UCSF

ZINC34917798

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 38 No

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) 3.41 9.42 -63.81 0 9 -1 105 525.622 12
Mid Mid (pH 6-8) 3.41 11.7 -75.37 1 9 0 106 526.63 12
Lo Low (pH 4.5-6) 3.41 10.81 -53.26 2 9 1 103 527.638 12

Activity (Go SEA)

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