UCSF

ZINC58647680

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2011 23 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) 0.92 4.74 -120.84 4 6 2 69 326.437 9
Mid Mid (pH 6-8) 0.92 5.25 -51.75 3 6 1 72 325.429 9
Mid Mid (pH 6-8) 0.92 2.22 -53.83 3 6 1 68 325.429 9

Activity (Go SEA)

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