UCSF

ZINC03616457

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) 3.96 11.42 -15.64 1 3 0 38 354.431 2
Mid Mid (pH 6-8) 4.42 10.99 -42.27 0 3 -1 41 353.423 2

Activity (Go SEA)

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