UCSF

ZINC37477261

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 14 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) 2.71 7.1 -108.13 3 2 2 21 200.37 5
Mid Mid (pH 6-8) 2.71 4.84 -34.06 2 2 1 20 199.362 5
Mid Mid (pH 6-8) 2.71 5.93 -31.69 2 2 1 16 199.362 5

Activity (Go SEA)

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