UCSF

ZINC36141148

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 26 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) 0.53 4.33 -18.42 1 8 0 96 356.382 3
Mid Mid (pH 6-8) 0.99 2.6 -44.99 0 8 -1 99 355.374 3

Activity (Go SEA)

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