UCSF

ZINC05448749

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 29 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) 2.70 9 -60.15 0 5 -1 73 387.39 5
Mid Mid (pH 6-8) 3.15 0.83 -19.11 1 5 0 70 388.398 4
Lo Low (pH 4.5-6) 3.15 0.95 -46.91 2 5 1 71 389.406 4

Activity (Go SEA)

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