UCSF

ZINC38137767

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2009 21 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) 1.24 5.89 -43.81 3 3 1 40 285.411 6
Lo Low (pH 4.5-6) 1.24 7.62 -125.62 4 3 2 41 286.419 6

Activity (Go SEA)

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