UCSF

ZINC36191874

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 0.16 2.57 -33.6 3 5 1 52 284.424 2
Lo Low (pH 4.5-6) 0.16 4.81 -94.08 4 5 2 53 285.432 2

Activity (Go SEA)

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