UCSF

ZINC37799506

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.14 3.04 -47.94 2 5 1 49 282.408 3
Mid Mid (pH 6-8) 0.14 5.33 -96.23 3 5 2 51 283.416 3

Activity (Go SEA)

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