UCSF

ZINC36218079

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 22 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) 3.09 4.12 -33.7 0 6 -1 87 360.198 5
Lo Low (pH 4.5-6) 3.09 4.1 -12.72 1 6 0 85 361.206 5

Activity (Go SEA)

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