UCSF

ZINC36983717

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.19 2.64 -48.21 1 5 -1 86 266.657 4
Mid Mid (pH 6-8) 1.19 2.7 -108.08 0 5 -2 88 265.649 4

Activity (Go SEA)

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