UCSF

ZINC20765158

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 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) 4.20 9.99 -29.12 2 7 0 97 396.472 8
Hi High (pH 8-9.5) 4.20 9.83 -56.89 1 7 -1 95 395.464 8

Activity (Go SEA)

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