UCSF

ZINC14539652

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 33 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) 2.58 8.95 -18.41 2 8 0 94 458.465 8
Lo Low (pH 4.5-6) 2.58 9.21 -45.06 3 8 1 96 459.473 8

Activity (Go SEA)

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