UCSF

ZINC36706892

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.70 10.09 -12.26 0 6 0 55 453.608 8
Mid Mid (pH 6-8) 4.70 12.36 -39.48 1 6 1 56 454.616 8

Activity (Go SEA)

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