UCSF

ZINC36203997

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) 1.69 5.9 -18.03 1 7 0 79 398.488 4
Mid Mid (pH 6-8) 1.69 8.14 -65.46 2 7 1 80 399.496 4

Activity (Go SEA)

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