UCSF

ZINC36215634

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 28 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) 4.68 8.99 -11.24 1 5 0 68 392.48 4
Mid Mid (pH 6-8) 4.68 9.22 -51.33 0 5 -1 70 391.472 4

Activity (Go SEA)

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