UCSF

ZINC03651012

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 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) 2.84 7.93 -48.75 2 4 1 44 300.378 7
Hi High (pH 8-9.5) 2.84 6.53 -8.67 1 4 0 40 299.37 7

Activity (Go SEA)

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