UCSF

ZINC36207530

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 28 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) 2.23 5.82 -13.16 2 7 0 96 401.488 8
Lo Low (pH 4.5-6) 2.23 7.59 -58.59 3 7 1 97 402.496 8

Activity (Go SEA)

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