UCSF

ZINC77142449

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2012 23 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) 3.21 10.2 -48.55 2 4 1 46 328.461 4
Hi High (pH 8-9.5) 3.21 7.93 -13.98 1 4 0 45 327.453 4

Activity (Go SEA)

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