UCSF

ZINC44836482

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 21 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) 2.28 5.41 -7.19 3 4 0 68 307.463 8
Lo Low (pH 4.5-6) 2.28 5.87 -38.95 4 4 1 69 308.471 8

Activity (Go SEA)

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