UCSF

ZINC31977346

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 2.04 7.61 -67.12 0 5 -1 75 243.242 2
Mid Mid (pH 6-8) 2.04 6.72 -36.6 1 5 0 78 244.25 2

Activity (Go SEA)

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