UCSF

ZINC00034342

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 2.92 10.61 -18.19 0 8 0 102 320.312 3
Mid Mid (pH 6-8) 2.92 11.09 -42.34 2 8 1 106 321.32 3

Activity (Go SEA)

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