UCSF

ZINC26770584

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 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) 3.70 7.77 -49.14 0 6 -1 73 478.327 6
Mid Mid (pH 6-8) 3.70 10.11 -62.19 1 6 0 74 479.335 6
Lo Low (pH 4.5-6) 3.70 9.29 -49.84 2 6 1 71 480.343 6

Activity (Go SEA)

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