UCSF

ZINC36669891

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 1.02 -0.26 -6.92 3 5 0 68 266.341 5
Mid Mid (pH 6-8) 1.02 2.05 -41.04 4 5 1 69 267.349 5

Activity (Go SEA)

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