UCSF

ZINC36986590

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 15 No

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) 0.40 2.18 -12.5 1 4 0 53 226.301 1
Mid Mid (pH 6-8) 0.17 1.81 -8.26 2 4 0 56 226.301 1

Activity (Go SEA)

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