UCSF

ZINC22391636

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 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) 2.27 6.14 -52.23 1 8 -1 114 327.32 4
Mid Mid (pH 6-8) 2.27 5.12 -19.16 2 8 0 111 328.328 4
Lo Low (pH 4.5-6) 2.27 5.32 -51.36 3 8 1 113 329.336 4

Activity (Go SEA)

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