UCSF

ZINC19905666

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 20 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) 3.84 10.86 -104.99 3 2 2 21 272.436 6
Hi High (pH 8-9.5) 3.84 9.64 -34.91 2 2 1 16 271.428 6

Activity (Go SEA)

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