UCSF

ZINC19844590

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 17 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) 1.22 5.39 -67.05 1 5 0 61 255.705 2
Mid Mid (pH 6-8) 1.22 2.93 -42.35 0 5 -1 59 254.697 2

Activity (Go SEA)

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