UCSF

ZINC09331659

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 32 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) 4.93 12.62 -64.55 0 5 -1 70 424.476 6
Mid Mid (pH 6-8) 4.93 12.26 -22.99 1 5 0 67 425.484 5
Lo Low (pH 4.5-6) 4.93 11.73 -15.55 1 5 0 67 425.484 6

Activity (Go SEA)

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