UCSF

ZINC50075904

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.08 6.99 -9.61 0 4 0 33 290.407 6
Lo Low (pH 4.5-6) 3.08 9.2 -46.22 1 4 1 34 291.415 6

Activity (Go SEA)

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