UCSF

ZINC46721988

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2010 22 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) 2.63 7 -41.91 2 5 1 56 365.251 6
Hi High (pH 8-9.5) 2.63 4.48 -10.21 1 5 0 54 364.243 6

Activity (Go SEA)

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