UCSF

ZINC04878577

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 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) 5.01 11.18 -42.14 0 3 -1 57 309.385 5
Mid Mid (pH 6-8) 5.00 2.03 -23.83 1 3 0 54 310.393 5
Mid Mid (pH 6-8) 4.13 1.76 -9.53 0 3 0 51 310.393 5

Activity (Go SEA)

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