UCSF

ZINC06419552

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 31 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) 4.74 11.64 -61.59 0 5 -1 74 414.481 6
Mid Mid (pH 6-8) 4.16 2.26 -21.81 0 5 0 67 415.489 6
Lo Low (pH 4.5-6) 4.74 10.81 -15 1 5 0 71 415.489 6

Activity (Go SEA)

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