UCSF

ZINC42221497

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 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) 4.84 4.83 -11.83 1 4 0 62 367.315 3
Mid Mid (pH 6-8) 3.92 4.16 -41.69 0 4 -1 61 366.307 4

Activity (Go SEA)

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