UCSF

ZINC36090405

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.82 2.83 -50.63 0 6 -1 86 365.884 6
Mid Mid (pH 6-8) 2.82 2.74 -17.83 1 6 0 84 366.892 6

Activity (Go SEA)

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