UCSF

ZINC30282952

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2009 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.40 12.65 -58.45 3 7 1 80 444.559 7
Hi High (pH 8-9.5) 3.40 10.43 -20.02 2 7 0 79 443.551 7

Activity (Go SEA)

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