UCSF

ZINC01957611

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 23 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) 4.26 6.31 -12.53 2 5 0 74 437.091 2
Mid Mid (pH 6-8) 5.17 5.07 -44.25 1 5 -1 81 436.083 2
Mid Mid (pH 6-8) 4.71 4.72 -39.94 1 5 -1 77 436.083 2
Mid Mid (pH 6-8) 4.71 4.41 -48.64 1 5 -1 77 436.083 2

Activity (Go SEA)

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