UCSF

ZINC00046525

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 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) 3.68 11.23 -17.81 1 3 0 38 304.374 1
Mid Mid (pH 6-8) 4.41 10.8 -50.65 0 3 -1 35 303.366 1

Activity (Go SEA)

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