UCSF

ZINC00083896

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 No

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) 2.17 4.3 -38.71 0 8 -1 113 335.317 4
Mid Mid (pH 6-8) 2.17 4.18 -11.94 1 8 0 110 336.325 4

Activity (Go SEA)

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