UCSF

ZINC09436594

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 38 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) 4.20 11.93 -60.22 0 7 -1 92 505.55 9
Mid Mid (pH 6-8) 4.65 12.66 -26.03 1 7 0 89 506.558 8
Lo Low (pH 4.5-6) 4.65 12.94 -54.26 2 7 1 90 507.566 8

Activity (Go SEA)

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