UCSF

ZINC70925320

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2011 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) 1.73 7.13 -37.95 1 5 1 43 279.36 6
Hi High (pH 8-9.5) 1.73 5.12 -9.88 0 5 0 42 278.352 6

Activity (Go SEA)

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