UCSF

ZINC00252529

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 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) 2.28 6.04 -10.76 0 3 0 33 188.23 2
Mid Mid (pH 6-8) 2.36 3.77 -7.4 1 3 0 38 188.23 2

Activity (Go SEA)

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