UCSF

ZINC37249574

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 0.61 3.66 -38.79 3 5 1 59 266.365 5
Mid Mid (pH 6-8) 0.61 2.31 -38.29 3 5 1 62 266.365 5

Activity (Go SEA)

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