UCSF

ZINC31817629

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 27 Yes

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) 3.64 3.71 -55.93 1 7 -1 99 362.413 3
Ref Reference (pH 7) 3.46 6.4 -53.21 1 7 -1 96 362.413 3
Lo Low (pH 4.5-6) 3.19 5.59 -13.52 2 7 0 96 363.421 3
Lo Low (pH 4.5-6) 3.00 8.22 -14.39 2 7 0 93 363.421 3

Activity (Go SEA)

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