UCSF

ZINC15937383

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 29 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) 3.67 11.59 -10.2 1 6 0 63 393.487 9
Lo Low (pH 4.5-6) 3.67 12.4 -31.38 2 6 1 65 394.495 9
Lo Low (pH 4.5-6) 3.67 11.28 -34.08 2 6 1 65 394.495 8

Activity (Go SEA)

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