UCSF

ZINC10718000

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2007 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) 3.10 6.12 -23.67 2 7 0 101 407.546 4
Mid Mid (pH 6-8) 3.56 4.75 -55.28 1 7 -1 104 406.538 4

Activity (Go SEA)

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