UCSF

ZINC00285873

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 2.96 5.01 -47.17 0 4 -1 61 281.382 3
Mid Mid (pH 6-8) 3.89 5.57 -13.45 1 4 0 62 282.39 2

Activity (Go SEA)

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