UCSF

ZINC36270585

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 23 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) 2.08 8.82 -47.62 3 6 0 88 316.405 4
Hi High (pH 8-9.5) 2.08 6.6 -49.53 2 6 -1 87 315.397 4
Mid Mid (pH 6-8) 2.08 9.27 -85.95 4 6 1 89 317.413 4

Activity (Go SEA)

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