UCSF

ZINC42805502

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 43 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) 5.19 10.52 -113.86 6 8 2 111 584.713 9
Mid Mid (pH 6-8) 5.19 9.25 -54.12 5 8 1 106 583.705 9
Mid Mid (pH 6-8) 5.19 9.25 -55.18 5 8 1 106 583.705 9
Mid Mid (pH 6-8) 5.19 7.98 -15.15 4 8 0 101 582.697 9

Activity (Go SEA)

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