UCSF

ZINC09435233

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 35 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) 3.92 11.19 -53.86 0 7 -1 95 482.541 7
Mid Mid (pH 6-8) 4.36 10.32 -33.7 1 7 0 93 483.549 6
Lo Low (pH 4.5-6) 4.36 10.6 -73.53 2 7 1 94 484.557 6

Activity (Go SEA)

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