UCSF

ZINC36322793

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 24 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) 3.82 9.63 -12.99 0 5 0 60 384.233 2
Lo Low (pH 4.5-6) 3.82 10.06 -34.9 1 5 1 61 385.241 2

Activity (Go SEA)

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