UCSF

ZINC61719713

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 26 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) 2.90 8.64 -11.26 0 5 0 41 346.434 3
Mid Mid (pH 6-8) 2.90 10.98 -50.32 1 5 1 43 347.442 3

Activity (Go SEA)

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