UCSF

ZINC37848453

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 2.90 3.01 -9.48 2 3 0 41 342.155 7
Mid Mid (pH 6-8) 2.90 4.41 -51.86 3 3 1 46 343.163 7

Activity (Go SEA)

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