UCSF

ZINC19771383

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 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) 2.04 6.18 -40.38 2 4 1 37 294.463 3
Mid Mid (pH 6-8) 2.04 8.68 -100.73 3 4 2 38 295.471 3
Lo Low (pH 4.5-6) 2.04 6.36 -39.41 2 4 1 37 294.463 3

Activity (Go SEA)

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