UCSF

ZINC31979651

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 2.86 7.19 -56.64 1 4 -1 69 300.256 3
Lo Low (pH 4.5-6) 2.86 6.05 -12.7 2 4 0 66 301.264 3

Activity (Go SEA)

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